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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 6/20 | 0.69 |
| ▸ | CTSS | P25774 | 5/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 2/20 | 0.44 |
| ▸ | CTSB | P07858 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 SCHEMBL5203431 | 1.00 | CTSK (0.69) | CTSKCTSSALDH1A1KMT2APSENEN | |
| Water SCHEMBL29402009 | 1.00 | CTSK (0.69) | CTSKCTSSALDH1A1KMT2APSENEN | |
| Water SCHEMBL5203435 | 1.00 | CTSK (0.69) | CTSKCTSSALDH1A1KMT2APSENEN | |
| Water SCHEMBL9032842 | 1.00 | CTSK (0.69) | CTSKCTSSALDH1A1KMT2APSENEN | |
| Water SCHEMBL10656525 | 1.00 | CTSK (0.69) | CTSKCTSSALDH1A1KMT2APSENEN | |
| Water SCHEMBL10884567 | 1.00 | CTSK (0.69) | CTSKCTSSALDH1A1KMT2APSENEN | |
| SCHEMBL16710011 | 0.98 | CTSS (0.67) | CTSKCTSSALDH1A1KMT2APSENEN | |
| SCHEMBL12189206 | 0.98 | CTSS (0.67) | CTSKCTSSALDH1A1KMT2APSENEN | |
| SCHEMBL905289 | 0.98 | CTSS (0.67) | CTSKCTSSALDH1A1KMT2APSENEN | |
| SCHEMBL1951088 | 0.98 | CTSS (0.67) | CTSKCTSSALDH1A1KMT2APSENEN |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3741765-A1 | ORGANOSILICON COMPOUND AND RUBBER COMPOSITION INCLUDING SAME | Osaka Soda Co., Ltd. (JP) | 2020-11-25 | — | — | EP | disclosed |
| US-20200361967-A1 | ORGANOSILICON COMPOUND AND RUBBER COMPOSITION COMPRISING THE SAME | OSAKA SODA CO., LTD. (JP) | 2020-11-19 | — | — | US | disclosed |
| CN-111601813-A | Organic silicon compound and rubber composition using same | 株式会社大阪曹达 | 2020-08-28 | — | — | CN | disclosed |
| WO-2019142890-A1 | ORGANOSILICON COMPOUND AND RUBBER COMPOSITION INCLUDING SAME | 株式会社大阪ソーダ | 2019-07-25 | — | — | WO | disclosed |
| US-RE37355-E1 | 6-dimethylaminomethyl-1-phenyl-cyclohexane compounds as pharmaceutical active ingredients | GRUENENTHAL GMBH (DE) | 2001-09-04 | — | — | US | disclosed |
| US-5733936-A | ANALGESICS | GRUENENTHAL GMBH (DE) | 1998-03-31 | — | — | US | disclosed |
| US-5238922-A | Anticancer agents | MERCK & CO., INC. (US) | 1993-08-24 | — | — | US | disclosed |
| EP-0535731-A2 | Inhibitors of farnesyl protein transferase | MERCK & CO. INC. (US) | 1993-04-07 | — | — | EP | disclosed |
| US-4749687-A | Renin inhibitors containing statine or derivatives thereof | PFIZER INC. (US) | 1988-06-07 | — | — | US | disclosed |
| EP-0190852-A2 | Dipeptide derivatives and antihypertensive drugs containing them | AJINOMOTO CO., INC. (JP) | 1986-08-13 | — | — | EP | disclosed |
| EP-0155809-A2 | Renin inhibitors containing statine or derivatives thereof | PFIZER INC. (US) | 1985-09-25 | — | — | 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 (1 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-20200361967-A1 | ORGANOSILICON COMPOUND AND RUBBER COMPOSITION COMPRISING THE SAME | GYS1, CROCC, PRMT6 | CTSK 4093/4885CTSS 4301/4885ALDH1A1 3243/4885 |
“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.