Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | NT5E | P21589 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Water SCHEMBL384922 | 1.00 | CA5A (0.36) | CA5ACA5BTSHRCA1CA2 | |
| SCHEMBL23269 | 0.96 | CA5A (0.39) | CA5ACA5BTSHRCA1CA2 | |
| SCHEMBL27433721 | 0.96 | CA5A (0.39) | CA5ACA5BTSHRCA1CA2 | |
| Ammonia Solution, Strong SCHEMBL5760496 | 0.92 | CA5A (0.36) | CA5ACA5BTSHRCA1CA2 | |
| SCHEMBL14974666 | 0.92 | CA5A (0.36) | CA5ACA5BTSHRCA1CA2 | |
| SCHEMBL16756653 | 0.92 | CA5A (0.36) | CA5ACA5BTSHRCA1CA2 | |
| SCHEMBL17510158 | 0.92 | CA5A (0.36) | CA5ACA5BTSHRCA1CA2 | |
| SCHEMBL29170918 | 0.92 | CA5A (0.36) | CA5ACA5BTSHRCA1CA2 | |
| SCHEMBL2571875 | 0.92 | CA5A (0.36) | CA5ACA5BTSHRCA1CA2 | |
| SCHEMBL26603592 | 0.92 | CA5A (0.36) | CA5ACA5BTSHRCA1CA2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2262775-B1 | (E)-N-(2-AMINO-PHENYL)-3-{1-[4-(1-METHYL-1H-PYRAZOL-4-YL)-BENZENESULFONYL]-1H-PYRROL-3-YL}-ACRYLAMIDE SALTS | 4SC AG (DE) | 2024-09-04 | — | — | EP | disclosed |
| US-20240199573-A1 | POLYMORPHS OF N-[(3-FLUORO-4-METHOXYPYRIDIN-2-YL)METHYL]-3-(METHOXYMETHYL)-1-({4-[(2-OXOPYRIDIN-1-YL)METHYL]PHENYL}METHYL)PYRAZOLE-4-CARBOXAMIDE AND SALTS THEREOF | DRI UK LP (KY) | 2024-06-20 | — | — | US | disclosed |
| US-11739068-B2 | Polymorphs of N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[(2-oxopyridin-1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide and salts thereof | KALVISTA PHARMACEUTICALS LIMITED (GB) | 2023-08-29 | — | — | US | disclosed |
| EP-4151630-A1 | POLYMORPHS OF N-[(3-FLUORO-4-METHOXYPYRIDIN-2-YL)METHYL]-3-(METHOXYMETHYL)-1-({4-[2-OXOPYRIDIN-1-YL)METHYL]PHENYL}METHYL)PYRAZOLE-4-CARBOXAMIDE AS KALLIKREIN INHIBITORS | Kalvista Pharmaceuticals Limited (GB) | 2023-03-22 | — | — | EP | disclosed |
| EP-3464265-B1 | POLYMORPHS OF N-[(3-FLUORO-4-METHOXYPYRIDIN-2-YL)METHYL]-3-(METHOXYMETHYL)-1-({4-[2-OXOPYRIDIN-1-YL)METHYL]PHENYL}METHYL)PYRAZOLE-4-CARBOXAMIDE AS KALLIKREIN INHIBITORS | KALVISTA PHARMACEUTICALS LTD (GB) | 2022-07-13 | — | — | EP | disclosed |
| CN-109379891-B | Polymorphs of a compound as kallikrein inhibitor | 卡尔维斯塔制药有限公司 | 2022-04-26 | — | — | CN | disclosed |
| US-20220041571-A1 | POLYMORPHS OF N-[(3-FLUORO-4-METHOXYPYRIDIN-2-YL)METHYL]-3-(METHOXYMETHYL)-1-({4-[(2-OXOPYRIDIN-1-YL)METHYL]PHENYL}METHYL)PYRAZOLE-4-CARBOXAMIDE AND SALTS THEREOF | DRI UK LP (KY) | 2022-02-10 | — | — | US | disclosed |
| US-20220031618-A1 | IRINOTECAN LIPOSOME PREPARATION, AND PREPARATION AND APPLICATION THEREOF | HIGHFIELD BIOPHARMACEUTICAL CORPORATION (CN) | 2022-02-03 | — | — | US | disclosed |
| US-11230537-B2 | Polymorphs of n-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[2-oxopyridin-1-yl)methyl]phenyl} methyl)pyrazole-4-carboxamide as iallikrein inhibitors | KALVISTA PHARMACEUTICALS LIMITED (GB) | 2022-01-25 | — | — | US | disclosed |
| EP-3878435-A9 | IRINOTECAN LIPOSOME PREPARATION, AND PREPARATION AND APPLICATION THEREOF | HighField BioPharmaceutical Corporation (CN) | 2021-11-03 | — | — | EP | disclosed |
| WO-2009112522-A1 | (E)-N-(2-Amino-phenyl)-3-{1-[4-(1-methyl-1H-pyrazol-4-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide salts | 4SC AG (DE) | 2009-09-17 | — | — | WO | disclosed |
| EP-2100882-A1 | (E) -N -(2-Amino-phenyl) -3-{1-[4-(1-methyl-1H-pyrazol-4-yl)- benzenesulfonyl]-1H-pyrrol-3-yl} -acrylamide salts | 4SC AG (DE) | 2009-09-16 | — | — | EP | disclosed |
| WO-2008154469-A1 | QUINAZOLINE SALT COMPOUNDS | SMITHKLINE BEECHAM (CORK) LIMITED (IE) | 2008-12-18 | — | — | WO | disclosed |
| EP-1896026-A2 | PROCESS FOR PREPARING TIOTROPIUM SALTS, TIOTROPIUM SALTS AS SUCH AND PHARMACEUTICAL COMPOSITIONS THEREOF | Boehringer Ingelheim International GmbH (DE) | 2008-03-12 | — | — | EP | disclosed |
| EP-1817281-A1 | N- [(3S)- PYRROLIDIN-3-YL]- BENZAMIDE DERIVATIVES AS MONOAMINE RE-UPTAKE INHIBITORS | Pfizer Limited (GB) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006134021-A2 | PROCESS FOR PREPARING TIOTROPIUM SALTS, TIOTROPIUM SALTS AS SUCH AND PHARMACEUTICAL COMPOSITIONS THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-12-21 | — | — | WO | disclosed |
| US-20060287530-A1 | Salt formtion of tiotropium bicarbonate in solvent | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-12-21 | — | — | US | disclosed |
| US-7122683-B2 | Amides useful as monoamine re-uptake inhibitors | PFIZER INC. (US) | 2006-10-17 | — | — | US | disclosed |
| WO-2006056884-A1 | N- [ (3S)- PYRROLIDIN-3-YL]- BENZAMIDE DERIVATIVES AS MONOAMINE RE-UPTAKE INHIBITORS | PFIZER LIMITED (GB) | 2006-06-01 | — | — | WO | disclosed |
| US-20060111429-A1 | Substituted N-[pyrrolidin-3-yl] benzamides or naphthamides; serotonin and noradrenaline receptor antagonists; urinary incontinence; arylation of the amino pyrrolidine with a carboxylic acid or acyl halide and then deprotecting | PFIZER INC | 2006-05-25 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-11739068-B2 | Polymorphs of N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[(2-oxopyridin-1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide and salts thereof | CYP3A4, CYP4B1, TPMT | CA5A 1816/4885CA5B 1801/4885TSHR 3844/4885 |
| US-20220041571-A1 | POLYMORPHS OF N-[(3-FLUORO-4-METHOXYPYRIDIN-2-YL)METHYL]-3-(METHOXYMETHYL)-1-({4-[(2-OXOPYRIDIN-1-YL)METHYL]PHENYL}METHYL)PYRAZOLE-4-CARBOXAMIDE AND SALTS THEREOF | CYP3A4, CYP4B1, TPMT | CA5A 1816/4885CA5B 1801/4885TSHR 3844/4885 |
| US-20060111429-A1 | Substituted N-[pyrrolidin-3-yl] benzamides or naphthamides; serotonin and noradrenaline receptor antagonists; urinary incontinence; arylation of the amino pyrrolidine with a carboxylic acid or acyl halide and then deprotecting | ADRB3, AOC3, HRH4 | CA5A 3354/4885CA5B 3899/4885TSHR 700/4885 |
| US-20060287530-A1 | Salt formtion of tiotropium bicarbonate in solvent | SLC6A5, SLC6A1, SLC6A11 | CA5A 38/4885CA5B 27/4885TSHR 318/4885 |
| US-11230537-B2 | Polymorphs of n-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[2-oxopyridin-1-yl)methyl]phenyl} methyl)pyrazole-4-carboxamide as iallikrein inhibitors | KLKB1, KLK1, KLK5 | CA5A 2956/4885CA5B 3184/4885TSHR 4473/4885 |
| US-20240199573-A1 | POLYMORPHS OF N-[(3-FLUORO-4-METHOXYPYRIDIN-2-YL)METHYL]-3-(METHOXYMETHYL)-1-({4-[(2-OXOPYRIDIN-1-YL)METHYL]PHENYL}METHYL)PYRAZOLE-4-CARBOXAMIDE AND SALTS THEREOF | CYP3A4, CYP4B1, TPMT | CA5A 1816/4885CA5B 1801/4885TSHR 3844/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.