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 | |
|---|---|---|---|---|
| ▸ | JAK2 known ✓ | O60674 | 1/20 | 0.42 |
| ▸ | TYMS known ✓ | P04818 | 1/20 | 0.39 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 2/20 | 0.56 |
| ▸ | FABP4 | P15090 | 1/20 | 0.50 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 1/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.50 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.42 |
| ▸ | MELK | Q14680 | 1/20 | 0.42 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29360969 | 0.98 | TTR (0.58) | TTRFABP4CCNA2CDK2MAPK14 | |
| SCHEMBL179823 | 0.98 | TTR (0.58) | TTRFABP4CCNA2CDK2MAPK14 | |
| SCHEMBL2984538 | 0.96 | TTR (0.56) | TTRFABP4CCNA2CDK2MAPK14 | |
| SCHEMBL21240726 | 0.96 | TTR (0.56) | TTRFABP4CCNA2CDK2MAPK14 | |
| Sulfuric Acid SCHEMBL11169213 | 0.87 | TTR (0.47) | TTRFABP4CCNA2CDK2MAPK14 | |
| SCHEMBL1742117 | 0.83 | TTR (0.59) | TTRFABP4CCNA2CDK2MAPK14 | |
| SCHEMBL15172852 | 0.82 | CA2 (0.61) | TTRCDK2NR4A1AURKAAURKB | |
| SCHEMBL28065908 | 0.81 | AURKA (0.50) | TTRFABP4CCNA2CDK2MAPK14 | |
| SCHEMBL9681579 | 0.80 | TTR (0.47) | TTRFABP4CCNA2CDK2MAPK14 | |
| SCHEMBL9614841 | 0.80 | TTR (0.50) | TTRFABP4CCNA2CDK2MAPK14 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0937052-B1 | PROCESS FOR THE PREPARATION OF 1,8-NAPHTHOSULTAM | CIBA SC HOLDING AG (CH) | 2001-06-20 | — | — | EP | disclosed |
| US-6046339-A | Process for the preparation of 1, 8-naphthosultam | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2000-04-04 | — | — | US | disclosed |
| EP-0937052-A1 | PROCESS FOR THE PREPARATION OF 1,8-NAPHTHOSULTAM | Ciba SC Holding AG (CH) | 1999-08-25 | — | — | EP | disclosed |
| WO-1998021192-A1 | PROCESS FOR THE PREPARATION OF 1,8-NAPHTHOSULTAM | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 1998-05-22 | — | — | WO | disclosed |