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 | |
|---|---|---|---|---|
| ▸ | HMGCR known ✓ | P04035 | 12/20 | 0.72 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.63 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.63 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.75 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.75 |
| ▸ | LMNA | P02545 | 1/20 | 0.75 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.75 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.75 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.75 |
| ▸ | USP2 | O75604 | 1/20 | 0.75 |
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.63 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.63 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.63 |
| ▸ | PGR | P06401 | 1/20 | 0.63 |
| ▸ | RXRA | P19793 | 1/20 | 0.63 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.63 |
| ▸ | CCKAR | P32238 | 1/20 | 0.63 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL6091528 | 0.93 | HMGCR (0.74) | CYP2C9KDM4EALDH1A1LMNACYP1A2 | |
| SCHEMBL6091537 | 0.93 | HMGCR (0.74) | CYP2C9KDM4EALDH1A1LMNACYP1A2 | |
| SCHEMBL6092270 | 0.92 | HMGCR (0.73) | CYP2C9KDM4EALDH1A1LMNACYP1A2 | |
| SCHEMBL6092259 | 0.92 | HMGCR (0.73) | CYP2C9KDM4EALDH1A1LMNACYP1A2 | |
| Fluvastatin SCHEMBL5056806 | 0.86 | CYP2C9 (1.00) | CYP2C9KDM4EALDH1A1LMNACYP1A2 | |
| Fluvastatin SCHEMBL41503 | 0.86 | CYP2C9 (1.00) | CYP2C9KDM4EALDH1A1LMNACYP1A2 | |
| Fluvastatin SCHEMBL41502 | 0.86 | CYP2C9 (1.00) | CYP2C9KDM4EALDH1A1LMNACYP1A2 | |
| Fluvastatin SCHEMBL556763 | 0.86 | CYP2C9 (1.00) | CYP2C9KDM4EALDH1A1LMNACYP1A2 | |
| Fluvastatin SCHEMBL6251405 | 0.86 | CYP2C9 (1.00) | CYP2C9KDM4EALDH1A1LMNACYP1A2 | |
| Fluvastatin SCHEMBL1147655 | 0.86 | CYP2C9 (1.00) | CYP2C9KDM4EALDH1A1LMNACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006059210-A2 | FUSED BICYCLIC PYRROLS AS HMG-COA REDUCTASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2006-06-08 | — | — | WO | disclosed |