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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.71 |
| ▸ | POLB | P06746 | 2/20 | 0.71 |
| ▸ | FPR1 | P21462 | 1/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.61 |
| ▸ | GLA | P06280 | 1/20 | 0.61 |
| ▸ | RECQL | P46063 | 1/20 | 0.61 |
| ▸ | BLM | P54132 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | HRH1 | P35367 | 1/20 | 0.60 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 4/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Tetrabuthylammonium SCHEMBL11184303 | 0.90 | CYP3A4 (0.64) | CYP3A4SMN1; SMN2POLBFPR1KDM4E | |
| SCHEMBL11707579 | 0.90 | CYP3A4 (0.71) | CYP3A4SMN1; SMN2POLBFPR1KDM4E | |
| SCHEMBL4934732 | 0.90 | CYP2C19 (0.75) | CYP3A4SMN1; SMN2POLBFPR1KDM4E | |
| SCHEMBL9580302 | 0.90 | CYP2C19 (0.75) | CYP3A4SMN1; SMN2POLBFPR1KDM4E | |
| SCHEMBL9528755 | 0.90 | CYP2C19 (0.75) | CYP3A4SMN1; SMN2POLBFPR1KDM4E | |
| SCHEMBL9325621 | 0.90 | CYP2C19 (0.75) | CYP3A4SMN1; SMN2POLBFPR1KDM4E | |
| Hydrochloric Acid SCHEMBL11802688 | 0.89 | CYP2C19 (0.74) | CYP3A4SMN1; SMN2POLBFPR1KDM4E | |
| Water SCHEMBL10924164 | 0.89 | CYP2C19 (0.74) | CYP3A4SMN1; SMN2POLBFPR1KDM4E | |
| SCHEMBL11317049 | 0.87 | CYP3A4 (0.73) | CYP3A4SMN1; SMN2POLBFPR1KDM4E | |
| SCHEMBL10999457 | 0.86 | CYP2C19 (0.58) | CYP3A4SMN1; SMN2POLBFPR1KDM4E |
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-4166817-A | Penicillins | BEECHAM GROUP LIMITED (GB) | 1979-09-04 | — | — | US | disclosed |