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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.46 |
| ▸ | CA1 known ✓ | P00915 | 6/20 | 0.40 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.40 |
| ▸ | CA2 known ✓ | P00918 | 5/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | F11 | P03951 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.42 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.42 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 3/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10368097 | 0.83 | CA12 (0.47) | CA12CA9F11HPGDGRIK1 | |
| SCHEMBL10366373 | 0.83 | GRIK1 (0.58) | CA12CA9F11HPGDGRIK1 | |
| SCHEMBL4290533 | 0.79 | CA12 (0.53) | CA12CA9F11CA1CA3 | |
| SCHEMBL10367635 | 0.77 | USP2 (0.40) | GRIK1CA1PARP1CA2MAPK14 | |
| SCHEMBL4552802 | 0.77 | CA12 (0.57) | CA12CA9F11HPGDCA1 | |
| SCHEMBL3399995 | 0.76 | RIPK1 (0.46) | CA12CA9F11HPGDGRIK1 | |
| SCHEMBL2324527 | 0.76 | F11 (0.73) | CA12CA9F11HPGDCA1 | |
| SCHEMBL16573987 | 0.76 | CA12 (0.73) | CA12CA9F11HPGDCA1 | |
| Benzoic Acid SCHEMBL2762994 | 0.75 | CA4 (0.65) | CA12CA9F11HPGDCA1 | |
| SCHEMBL4287747 | 0.74 | PDE3B (0.57) | CA12CA9F11CA1CA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0190857-B1 | QUINOLONE INOTROPIC AGENTS | Pfizer Limited (GB) | 1990-03-21 | — | — | EP | disclosed |
| US-4728654-A | CONGESTIVE HEART FAILURE | PFIZER INC. (US) | 1988-03-01 | — | — | US | disclosed |
| EP-0190857-A2 | Quinolone inotropic agents | Pfizer Limited (GB) | 1986-08-13 | — | — | EP | disclosed |