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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 7/20 | 0.37 |
| ▸ | CA2 known ✓ | P00918 | 7/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.33 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.33 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.33 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | DDO | Q99489 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10678826 | 0.85 | BRD4 (0.48) | CA1CA2MAPK14BRD4BRD9 | |
| SCHEMBL10367636 | 0.85 | RXRA (0.47) | GRIK1GRIA1GRIA2GRIA3GRIA4 | |
| SCHEMBL10366856 | 0.83 | SMN1; SMN2 (0.44) | USP2CA1CA2SMN1; SMN2MAPK14 | |
| SCHEMBL10366213 | 0.81 | ESR1 (0.42) | PARP1DAODDO | |
| SCHEMBL10679794 | 0.79 | TNKS2 (0.37) | SMN1; SMN2PARP1DAODDO | |
| SCHEMBL10366372 | 0.77 | CA12 (0.46) | CA1CA2GRIK1MAPK14PARP1 | |
| SCHEMBL10677106 | 0.77 | SMN1; SMN2 (0.34) | SMN1; SMN2GRIA1DAODDO | |
| SCHEMBL4287170 | 0.72 | CA12 (0.53) | CA1SMN1; SMN2PARP1DAODDO | |
| SCHEMBL1144962 | 0.72 | MEN1 (0.41) | USP2GRIK1GRIA1GRIA2GRIA3 | |
| SCHEMBL7264784 | 0.70 | CA12 (0.36) | SMN1; SMN2DAODDO |
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 |