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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.51 |
| ▸ | CTSS | P25774 | 4/20 | 0.68 |
| ▸ | CTSK | P43235 | 4/20 | 0.68 |
| ▸ | CTSL | P07711 | 2/20 | 0.68 |
| ▸ | CTSB | P07858 | 1/20 | 0.68 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | FOLH1 | Q04609 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | LAP3 | P28838 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.47 |
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 SCHEMBL11331808 | 1.00 | CTSS (0.68) | CTSSCTSKCTSLCTSBCAPN1 | |
| Water SCHEMBL2838131 | 1.00 | CTSS (0.68) | CTSSCTSKCTSLCTSBCAPN1 | |
| Water SCHEMBL645995 | 1.00 | CTSS (0.68) | CTSSCTSKCTSLCTSBCAPN1 | |
| SCHEMBL17560 | 0.98 | CTSL (0.66) | CTSSCTSKCTSLCTSBCAPN1 | |
| SCHEMBL17559 | 0.98 | CTSL (0.66) | CTSSCTSKCTSLCTSBCAPN1 | |
| SCHEMBL66243 | 0.98 | CTSL (0.66) | CTSSCTSKCTSLCTSBCAPN1 | |
| SCHEMBL28058660 | 0.97 | CTSL (0.64) | CTSSCTSKCTSLCTSBCAPN1 | |
| Fluoride SCHEMBL27561259 | 0.97 | CTSL (0.64) | CTSSCTSKCTSLCTSBCAPN1 | |
| SCHEMBL8579795 | 0.97 | CTSL (0.64) | CTSSCTSKCTSLCTSBCAPN1 | |
| Hydrazine SCHEMBL8410651 | 0.95 | CTSL (0.62) | CTSSCTSKCTSLCTSBCAPN1 |
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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115368352-A | Glucokinase agonist and preparation method and application thereof | 南京盛德瑞尔医药科技有限公司 | 2022-11-22 | — | — | CN | claimed |
| US-6398857-B1 | ACCUSTIC PIEZOELECTRIC; HOT MELT INK JET PRINTING; BENZOIC ACID VEHICLE; ALKYL OR PHENYL CARBOXYLIC ACID VISCOSITY MODIFIER; RETAINS DESIRED HARDNESS | XEROX CORPORATION | 2002-06-04 | — | — | US | claimed |
| US-6395077-B1 | INKS WITH BENZOYLBENZOIC ACID AND COLORS | XEROX CORPORATION | 2002-05-28 | — | — | US | claimed |
| JP-10045699-A | — | — | None | — | — | JP | disclosed |
| EP-4425181-A1 | COMPOSITION FOR DETECTING OR MEASURING ANALYTE | Bertis Inc (KR) | 2024-09-04 | — | — | EP | disclosed |
| CN-117794580-A | Polypeptide coupling medicine | 肿瘤多肽有限公司 | 2024-03-29 | — | — | CN | disclosed |
| CN-116981681-A | Compounds for the treatment of segmental premature senility syndrome | 普罗基莱弗公司 | 2023-10-31 | — | — | CN | disclosed |
| CN-109641863-B | Intermediate for synthesizing carfilzomib and synthesis of pharmaceutically acceptable salt thereof | 美国安进公司 | 2023-10-20 | — | — | CN | disclosed |
| EP-4251636-A1 | COMPOUNDS FOR TREATING SEGMENTAL PROGEROID SYNDROMES | Progelife (FR) | 2023-10-04 | — | — | EP | disclosed |
| CN-116829949-A | Compositions for detecting or measuring analytes | 伯蒂斯有限公司 | 2023-09-29 | — | — | CN | disclosed |
| US-11767295-B2 | Isoindole derivative | TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) | 2023-09-26 | — | — | US | disclosed |
| US-20020086996-A1 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2002-07-04 | — | — | US | disclosed |
| US-6398857-B1 | ACCUSTIC PIEZOELECTRIC; HOT MELT INK JET PRINTING; BENZOIC ACID VEHICLE; ALKYL OR PHENYL CARBOXYLIC ACID VISCOSITY MODIFIER; RETAINS DESIRED HARDNESS | XEROX CORPORATION | 2002-06-04 | — | — | US | disclosed |
| US-6395077-B1 | INKS WITH BENZOYLBENZOIC ACID AND COLORS | XEROX CORPORATION | 2002-05-28 | — | — | US | disclosed |
| EP-1161415-A2 | N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-12-12 | — | — | EP | disclosed |
| WO-2000055126-A2 | N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | disclosed |
| JP-H1045699-A | GELATINASE INHIBITOR | BANYU PHARMACEUT CO LTD | 1998-02-17 | — | — | JP | disclosed |
| CN-1120844-A | Phosphonomethyldipeptides | MERRELL DOW PHARMA (US) | 1996-04-17 | — | — | CN | disclosed |
| EP-0376040-A2 | N-phosphinyl di-and tripeptides as renin inhibitors | AMERICAN CYANAMID COMPANY (US) | 1990-07-04 | — | — | EP | disclosed |
| US-4242256-A | Synthesis of peptide analogues | SHARPE ROBERT (GB) | 1980-12-30 | — | — | 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 (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-11767295-B2 | Isoindole derivative | COX4I1, ALDH1A2, GDI2 | MEN1 2828/4885CTSS 4168/4885CTSK 3814/4885 |
| US-20020086996-A1 | Novel compounds and compositions as protease inhibitors | CTRL, SERPINB1, CPN1 | MEN1 3977/4885CTSS 10/4885CTSK 32/4885 |
“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.