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 | |
|---|---|---|---|---|
| ▸ | KCNK3 known ✓ | O14649 | 1/20 | 0.47 |
| ▸ | KCNK9 known ✓ | Q9NPC2 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 10/20 | 0.58 |
| ▸ | CES1 | P23141 | 9/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.47 |
| ▸ | FEN1 | P39748 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Benzil SCHEMBL1515663 | 0.98 | CES2 (0.61) | CES2CES1RAB9ANPC1HPGD | |
| SCHEMBL3627482 | 0.98 | CES2 (0.61) | CES2CES1RAB9ANPC1HPGD | |
| Glycolic Acid SCHEMBL29028238 | 0.89 | CES2 (0.50) | CES2CES1RAB9ANPC1HPGD | |
| SCHEMBL166603 | 0.87 | HPGD (0.54) | CES2CES1HPGDERCC5FEN1 | |
| SCHEMBL29425530 | 0.87 | HPGD (0.54) | CES2CES1HPGDERCC5FEN1 | |
| Benzoyl Formic Acid SCHEMBL4889317 | 0.86 | CES2 (0.50) | CES2CES1RAB9ANPC1HPGD | |
| Benzil SCHEMBL10476771 | 0.84 | CES2 (0.54) | CES2CES1RAB9AHPGDKCNK3 | |
| SCHEMBL13264074 | 0.84 | CES2 (0.61) | CES2CES1RAB9ANPC1SMN1; SMN2 | |
| Benzil SCHEMBL10476776 | 0.84 | CES2 (0.54) | CES2CES1RAB9AHPGDKCNK3 | |
| Benzil SCHEMBL10476773 | 0.84 | CES2 (0.54) | CES2CES1RAB9AHPGDKCNK3 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050020721-A1 | Polymerizable composite material | STANNARD JAN G (US) | 2005-01-27 | — | — | US | claimed |
| US-6797767-B2 | Polymerizable composite material | PULPDENT CORPORATION | 2004-09-28 | — | — | US | claimed |
| US-8735464-B2 | Radically curable urethane dimethacrylates and compositions thereof for tougher dental prosthetics | PULPDENT CORPORATION (US) | 2014-05-27 | — | — | US | disclosed |
| EP-1578865-B1 | POLYMERIZABLE COMPOSITE MATERIAL | PULPDENT CORP (US) | 2013-11-20 | — | — | EP | disclosed |
| US-20130041067-A1 | Radically Curable Urethane Dimethacrylates and Compositions Thereof for Tougher Dental Prosthetics | PULPDENT CORPORATION (US) | 2013-02-14 | — | — | US | disclosed |
| US-8292625-B2 | Radically curable urethane dimethacrylates and compositions thereof for tougher dental prosthetics | PULPDENT CORPORATION (US) | 2012-10-23 | — | — | US | disclosed |
| US-20120021383-A1 | Radically Curable Urethane Dimethacrylates and Compositions Thereof for Tougher Dental Prosthetics | PULPDENT CORPORATION (US) | 2012-01-26 | — | — | US | disclosed |
| US-7371782-B2 | Polymerizable composite material | PULPDENT CORPORATION (US) | 2008-05-13 | — | — | US | disclosed |
| EP-1578865-A4 | POLYMERIZABLE COMPOSITE MATERIAL | PULPDENT CORP (US) | 2006-06-07 | — | — | EP | disclosed |
| EP-1578865-A1 | POLYMERIZABLE COMPOSITE MATERIAL | PULPDENT CORPORATION (US) | 2005-09-28 | — | — | EP | disclosed |
| US-20050020721-A1 | Polymerizable composite material | STANNARD JAN G (US) | 2005-01-27 | — | — | US | disclosed |
| US-6797767-B2 | Polymerizable composite material | PULPDENT CORPORATION | 2004-09-28 | — | — | US | disclosed |
| WO-2004063274-A1 | POLYMERIZABLE COMPOSITE MATERIAL | PULPDENT CORPORATION (US) | 2004-07-29 | — | — | WO | disclosed |
| US-20040132937-A1 | Polymerizable composite material | PULPDENT CORPORATION | 2004-07-08 | — | — | 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-20120021383-A1 | Radically Curable Urethane Dimethacrylates and Compositions Thereof for Tougher Dental Prosthetics | XRCC6, PUF60, ESD | KCNK3 1360/4885KCNK9 2374/4885CES2 1643/4885 |
| US-20130041067-A1 | Radically Curable Urethane Dimethacrylates and Compositions Thereof for Tougher Dental Prosthetics | XRCC6, PUF60, ESD | KCNK3 1360/4885KCNK9 2374/4885CES2 1643/4885 |
“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.