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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B known ✓ | P29275 | 2/20 | 0.67 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.59 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.59 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.59 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.59 |
| ▸ | MAOB | P27338 | 20/20 | 0.67 |
| ▸ | MAOA | P21397 | 2/20 | 0.62 |
| ▸ | CA5A | P35218 | 1/20 | 0.59 |
| ▸ | CA7 | P43166 | 1/20 | 0.59 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL11875283 | 0.80 | MAOB (0.69) | MAOBADORA2BMAOACA12CA1 | |
| SCHEMBL4973439 | 0.80 | MAOB (1.00) | MAOBADORA2BMAOA | |
| SCHEMBL11877461 | 0.79 | MAOB (0.63) | MAOBADORA2BMAOA | |
| SCHEMBL30059662 | 0.78 | MAOB (1.00) | MAOBADORA2BMAOA | |
| SCHEMBL1253672 | 0.78 | MAOB (1.00) | MAOBADORA2BMAOA | |
| SCHEMBL4519275 | 0.77 | MAOB (0.72) | MAOBADORA2BMAOA | |
| SCHEMBL9029206 | 0.77 | MAOB (0.72) | MAOBADORA2BMAOA | |
| SCHEMBL30643084 | 0.77 | MAOB (0.72) | MAOBADORA2BMAOA | |
| SCHEMBL4974849 | 0.77 | MAOB (0.72) | MAOBADORA2BMAOA | |
| SCHEMBL11508304 | 0.77 | MAOB (0.72) | MAOBADORA2BMAOA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3937837-A | SUBSTITUTED CHROMONE-3-CARBONITRILES, CARBOXAMIDES AND CARBOXYLIC ACIDS USEFUL FOR PREVENTING ASTHMATIC SYMPTOMS | WARNER-LAMBERT COMPANY (US) | 1976-02-10 | — | — | US | disclosed |