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 | |
|---|---|---|---|---|
| ▸ | IMPDH2 known ✓ | P12268 | 1/20 | 0.46 |
| ▸ | IMPDH1 known ✓ | P20839 | 1/20 | 0.46 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.39 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.39 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.39 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | PLK1 | P53350 | 1/20 | 0.49 |
| ▸ | EP300 | Q09472 | 1/20 | 0.48 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.48 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.46 |
| ▸ | NQO1 | P15559 | 1/20 | 0.44 |
| ▸ | HPGDS | O60760 | 1/20 | 0.44 |
| ▸ | CDC25B | P30305 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11740601 | 0.82 | CA1 (0.56) | GPR84MAPTHPGDKMT2ACYP2C9 | |
| SCHEMBL10438501 | 0.81 | PLK1 (0.53) | IDO1PLK1EP300KAT8IMPDH2 | |
| SCHEMBL419307 | 0.78 | IDO1 (0.73) | IDO1PLK1EP300KAT8IMPDH2 | |
| SCHEMBL29380721 | 0.78 | IDO1 (0.73) | IDO1PLK1EP300KAT8IMPDH2 | |
| SCHEMBL728493 | 0.74 | BTN3A1 (0.52) | GPR84HPGDKMT2AALDH1A1HSD17B10 | |
| SCHEMBL29769247 | 0.74 | BTN3A1 (0.52) | GPR84HPGDKMT2AALDH1A1HSD17B10 | |
| SCHEMBL11322830 | 0.73 | BTN3A1 (0.51) | GPR84HPGDKMT2AALDH1A1HSD17B10 | |
| Water SCHEMBL12002468 | 0.73 | BTN3A1 (0.51) | GPR84HPGDKMT2AALDH1A1HSD17B10 | |
| SCHEMBL8657077 | 0.73 | BTN3A1 (0.51) | GPR84HPGDKMT2AALDH1A1HSD17B10 | |
| SCHEMBL2963442 | 0.73 | BTN3A1 (0.51) | GPR84HPGDKMT2AALDH1A1HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5260428-A | Agent for the detection of substances with hydrolase activity | BOEHRINGER MANNHEIM GMBH (DE) | 1993-11-09 | — | — | US | disclosed |
| US-5202233-A | Process for the detection of substances with hydrolase activity | BOEHRINGER MANNHEIM GMBH (DE) | 1993-04-13 | — | — | US | disclosed |