Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.42 |
| ▸ | CA4 known ✓ | P22748 | 3/20 | 0.41 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.34 |
| ▸ | CPT2 | P23786 | 1/20 | 0.48 |
| ▸ | CPT1A | P50416 | 1/20 | 0.48 |
| ▸ | GSR | P00390 | 1/20 | 0.37 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CRAT | P43155 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11666499 | 0.80 | — | — | |
| SCHEMBL4868828 | 0.80 | CPT2 (0.52) | CPT2CPT1ACA2CA4GABRR1 | |
| Silver SCHEMBL6734048 | 0.76 | CPT2 (0.58) | CPT2CPT1ACA2CA4CA1 | |
| SCHEMBL6734056 | 0.76 | CPT2 (0.58) | CPT2CPT1ACA2CA4CA1 | |
| SCHEMBL25297691 | 0.75 | GABRR1 (0.44) | GSRGABRR1 | |
| SCHEMBL9619279 | 0.75 | GABRR1 (0.44) | GSRGABRR1 | |
| SCHEMBL1046120 | 0.75 | — | — | |
| SCHEMBL289100 | 0.75 | — | — | |
| SCHEMBL415749 | 0.75 | — | — | |
| SCHEMBL29952120 | 0.75 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-11286637-A | — | — | None | — | — | JP | disclosed |
| US-20080305342-A1 | Aqueous polyurethane dispersions | LANXESS DEUTSCHLAND GMBH (DE) | 2008-12-11 | — | — | US | disclosed |
| US-20050222368-A1 | Aqueous polyurethane dispersions | LANXESS DEUTSCHLAND GMBH (DE) | 2005-10-06 | — | — | US | disclosed |
| US-20040245490-A1 | Top coating composition for leather | BASF AKTIENGESELLSCHAFT (DE) | 2004-12-09 | — | — | US | disclosed |
| US-20040170832-A1 | Particulate, linear, sheet-like, or three-dimensional structures which comprise, at least on their surface, a hydrophilicizing amount of at least one polymer which has urethane groups and/or urea groups, and also anionic groups | BASF AKTIENGESELLSCHAFT (DE) | 2004-09-02 | — | — | US | disclosed |
| JP-H11286637-A | INK JET INK | AGFA GEVAERT AG | 1999-10-19 | — | — | JP | disclosed |