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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.55 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.55 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.56 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | CA4 | P22748 | 1/20 | 0.56 |
| ▸ | CA6 | P23280 | 1/20 | 0.56 |
| ▸ | CA5A | P35218 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | TTR | P02766 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL26288 | 0.98 | HCAR2 (0.67) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL30556980 | 0.92 | HCAR2 (0.77) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL357565 | 0.83 | HCAR2 (0.89) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL337504 | 0.83 | HCAR2 (0.89) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL9395526 | 0.83 | HCAR2 (0.69) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL337503 | 0.83 | HCAR2 (0.89) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL27840768 | 0.83 | HCAR2 (0.54) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL27659194 | 0.82 | HCAR2 (0.85) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL9067636 | 0.80 | HCAR2 (0.47) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL812094 | 0.80 | HCAR2 (0.65) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1740549-A2 | NOVEL IMIDAZOLES | Warner-Lambert Company LLC (US) | 2007-01-10 | — | — | EP | disclosed |
| US-20060287378-A1 | Novel pyrroles and imidazoles | WARNER-LAMBERT COMPANY LLC | 2006-12-21 | — | — | US | disclosed |
| WO-2005105079-A2 | NOVEL IMIDAZOLES | WARNER-LAMBERT COMPANY LLC (US) | 2005-11-10 | — | — | WO | disclosed |
| US-20050239857-A1 | Novel imidazoles | BOLTON GARY L | 2005-10-27 | — | — | US | disclosed |
| CN-1017896-B | OXYGEN-CONTAINING HETEROCYCLIC COMPOUND AND PROCESS FOR PREPARING SAME | FUJISAWA PHARMACEUTICAL CO (JP) | 1992-08-19 | — | — | CN | disclosed |
| CN-1039244-A | Oxygenic heterocyclic compounds and its preparation method | FUJISAWA PHARMACEUTICAL CO (JP) | 1990-01-31 | — | — | CN | disclosed |
| EP-0131374-B1 | PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PENEM DERIVATIVES | PFIZER INC. (US) | 1988-11-23 | — | — | EP | disclosed |
| US-4619783-A | BACTERICIDES | PFIZER INC. (US) | 1986-10-28 | — | — | US | disclosed |
| EP-0131374-A1 | Process and intermediates for the preparation of penem derivatives | PFIZER INC. (US) | 1985-01-16 | — | — | EP | disclosed |
| EP-0002564-B1 | DERIVATIVES OF 7-OXO-1-AZABICYCLO(3.2.0)-HEPT-2-ENE-2-CARBOXYLIC ACID, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES | BEECHAM GROUP PLC (GB) | 1984-06-20 | — | — | EP | disclosed |
| EP-0003740-B1 | BETA-LACTAM ANTIBIOTICS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BEECHAM GROUP PLC (GB) | 1982-01-27 | — | — | EP | disclosed |
| US-4293501-A | β-Lactam antibiotics, a process for their preparation and their use in pharmaceutical compositions | BEECHAM GROUP LIMITED (GB) | 1981-10-06 | — | — | US | disclosed |
| US-4290948-A | 2-THIOSUBSTITUTED PENICILLINS | BEECHAM GROUP LIMITED (GB) | 1981-09-22 | — | — | US | disclosed |
| US-4289696-A | BETA-LACTAMASE INHIBITORY AGENTS WHICH ENHANCE ACTIVITY OF A PENICICILLIN OR CEPHALOSPORIN | BEECHAM GROUP LIMITED (GB) | 1981-09-15 | — | — | US | disclosed |
| US-4255441-A | β-Lactam antibiotics, a process for their prepaeration and their use in pharmaceutical compositions | BEECHAM GROUP LIMITED (GB) | 1981-03-10 | — | — | US | disclosed |
| US-4223038-A | THIENAMYCINS | BEECHAM GROUP LIMITED (GB) | 1980-09-16 | — | — | US | disclosed |
| US-4210661-A | Synthetic β-lactam compounds, a process for their preparation and compositions containing them | BEECHAM GROUP LIMITED (GB) | 1980-07-01 | — | — | US | disclosed |
| EP-0003740-A2 | Beta-lactam antibiotics, a process for their preparation and pharmaceutical compositions containing them | BEECHAM GROUP PLC (GB) | 1979-09-05 | — | — | EP | disclosed |
| EP-0002564-A1 | Derivatives of 7-oxo-1-azabicyclo(3.2.0)-hept-2-ene-2-carboxylic acid, their preparation, pharmaceutical compositions containing them and intermediates | BEECHAM GROUP PLC (GB) | 1979-06-27 | — | — | EP | disclosed |
| EP-0000828-A1 | Synthetic beta-lactam compounds, a process for their preparation and compositions containing them | BEECHAM GROUP PLC (GB) | 1979-02-21 | — | — | EP | 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 (2 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-20060287378-A1 | Novel pyrroles and imidazoles | PPIP5K2, PPIE, PPOX | SLC6A2 3318/4885SLC6A3 1104/4885HCAR2 3251/4885 |
| US-20050239857-A1 | Novel imidazoles | HMGCR, HMGB2, HMGB3 | SLC6A2 2841/4885SLC6A3 4082/4885HCAR2 580/4885 |
“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.