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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.49 |
| ▸ | KIF11 | P52732 | 5/20 | 0.56 |
| ▸ | NPEPPS | P55786 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | PARP14 | Q460N5 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | PIM1 | P11309 | 1/20 | 0.48 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | GPR3 | P46089 | 1/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | DDO | Q99489 | 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 | |
|---|---|---|---|---|
| SCHEMBL29459307 | 0.98 | KIF11 (0.58) | KIF11NPEPPSALDH1A1MAPTHSD17B10 | |
| SCHEMBL157116 | 0.98 | KIF11 (0.58) | KIF11NPEPPSALDH1A1MAPTHSD17B10 | |
| Ammonia Solution, Strong SCHEMBL27801333 | 0.96 | KIF11 (0.56) | KIF11NPEPPSALDH1A1MAPTHSD17B10 | |
| SCHEMBL30658551 | 0.96 | KIF11 (0.56) | KIF11NPEPPSALDH1A1MAPTHSD17B10 | |
| Carbazole SCHEMBL28252401 | 0.96 | KIF11 (0.56) | KIF11NPEPPSALDH1A1MAPTHSD17B10 | |
| Hydrogen Peroxide SCHEMBL28221887 | 0.95 | KIF11 (0.55) | KIF11NPEPPSALDH1A1MAPTHSD17B10 | |
| Formaldehyde SCHEMBL491350 | 0.95 | KIF11 (0.59) | KIF11NPEPPSALDH1A1MAPTHSD17B10 | |
| Propionitrile SCHEMBL28278298 | 0.92 | KIF11 (0.49) | KIF11NPEPPSALDH1A1MAPTHSD17B10 | |
| Boric Acid SCHEMBL23404276 | 0.91 | KIF11 (0.51) | KIF11NPEPPSALDH1A1MAPTHSD17B10 | |
| SCHEMBL1172666 | 0.91 | KIF11 (0.51) | KIF11NPEPPSALDH1A1MAPTHSD17B10 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120088778-A1 | AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS | TRANSTECH PHARMA, INC. (US) | 2012-04-12 | — | — | US | disclosed |
| US-20100256119-A1 | Azole derivatives and fused bicyclic azole derivatives as therapeutic agents | TRANSTECH PHARMA, INC. | 2010-10-07 | — | — | US | disclosed |
| US-7737285-B2 | Azole derivatives and fused bicyclic azole derivatives as therapeutic agents | TRANSTECH PHARMA, INC. (US) | 2010-06-15 | — | — | US | disclosed |
| US-7714013-B2 | Azole derivatives and fused bicyclic azole derivatives as therapeutic agents | TRANSTECH PHARMA, INC. (US) | 2010-05-11 | — | — | US | disclosed |
| US-7361678-B2 | Azole derivatives and fused bicyclic azole derivatives as therapeutic agents | TRANSTECH PHARMA, INC. (US) | 2008-04-22 | — | — | US | disclosed |
| US-20070213347-A1 | Azole derivatives and fused bicyclic azole derivatives as therapeutic agents | TRANSTECH PHARMA (US) | 2007-09-13 | — | — | US | disclosed |
| US-20070021386-A1 | Azole derivatives and fused bicyclic azole derivatives as therapeutic agents | TRANSTECH PHARMA (US) | 2007-01-25 | — | — | US | disclosed |
| EP-1482931-A2 | MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE | Transtech Pharma, Inc. (US) | 2004-12-08 | — | — | EP | disclosed |
| US-20040082542-A1 | Azole derivatives and fused bicyclic azole derivatives as therapeutic agents | VTV THERAPEUTICS LLC | 2004-04-29 | — | — | US | disclosed |
| WO-2003075921-A2 | MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE | TRANSTECH PHARMA, INC. (US) | 2003-09-18 | — | — | WO | 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 (5 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-20100256119-A1 | Azole derivatives and fused bicyclic azole derivatives as therapeutic agents | AGER, S100A4, S100B | MEN1 1603/4885KIF11 4703/4885NPEPPS 2315/4885 |
| US-20040082542-A1 | Azole derivatives and fused bicyclic azole derivatives as therapeutic agents | AGER, S100A4, S100B | MEN1 1605/4885KIF11 4690/4885NPEPPS 2390/4885 |
| US-20070021386-A1 | Azole derivatives and fused bicyclic azole derivatives as therapeutic agents | AGER, S100A4, S100B | MEN1 1633/4885KIF11 4736/4885NPEPPS 2571/4885 |
| US-20120088778-A1 | AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS | AGER, S100A4, S100B | MEN1 1633/4885KIF11 4736/4885NPEPPS 2571/4885 |
| US-20070213347-A1 | Azole derivatives and fused bicyclic azole derivatives as therapeutic agents | AGER, S100A4, S100B | MEN1 1633/4885KIF11 4736/4885NPEPPS 2571/4885 |
“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.