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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 known ✓ | P09917 | 5/20 | 0.51 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.48 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3279004 | 0.81 | ALOX5 (0.60) | ALOX5RIPK1CA12CA9PTGS1 | |
| SCHEMBL6360912 | 0.79 | ALOX5 (0.55) | ALOX5RIPK1CA12CA9PTGS1 | |
| SCHEMBL11127626 | 0.77 | ALOX5 (0.56) | ALOX5RIPK1CA12CA9PTGS1 | |
| SCHEMBL23805084 | 0.75 | ALOX5 (0.55) | ALOX5RIPK1CA12CA9PTGS1 | |
| SCHEMBL19064536 | 0.75 | HDAC3 (0.57) | ALOX5CA12CA9CES2CES1 | |
| SCHEMBL6037547 | 0.75 | ALOX5 (0.56) | ALOX5RIPK1CA12CA9PTGS1 | |
| SCHEMBL1436622 | 0.75 | ALOX5 (0.70) | ALOX5RIPK1CA12CA9PTGS1 | |
| SCHEMBL628573 | 0.74 | RIPK1 (0.53) | ALOX5RIPK1CA12CA9PTGS1 | |
| SCHEMBL4445336 | 0.74 | ALOX5 (0.50) | ALOX5RIPK1CA12CA9PTGS1 | |
| SCHEMBL7646415 | 0.73 | HSD11B1 (0.54) | ALOX5RIPK1HDAC3HDAC1HDAC7 |
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 |
|---|---|---|---|---|---|---|---|
| US-20050014647-A1 | Method and composition for determining resistance to an acetohydroxy-acid synthase inhibitor | BASF AKTIENGESELLSCHAFT (DE) | 2005-01-20 | — | — | US | claimed |
| US-20050014647-A1 | Method and composition for determining resistance to an acetohydroxy-acid synthase inhibitor | BASF AKTIENGESELLSCHAFT (DE) | 2005-01-20 | — | — | US | disclosed |
| EP-1417331-A2 | IMPROVED METHOD AND COMPOSITION FOR DETERMINING RESISTANCE TO AN ACETOHYDROXYACID SYNTHASE INHIBITOR | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-12 | — | — | EP | disclosed |
| WO-2003014379-A2 | IMPROVED METHOD AND COMPOSITION FOR DETERMINING RESISTANCE TO AN ACETOHYDROXYACID SYNTHASE INHIBITOR | BASF AKTIENGESELLSCHAFT (DE) | 2003-02-20 | — | — | WO | disclosed |