Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL9258210 | 0.98 | CYP26A1 (0.38) | CYP26A1CYP3A4CYP26B1RXRARXRB | |
| SCHEMBL9251869 | 0.89 | CYP26A1 (0.49) | CYP26A1CYP3A4CYP26B1RXRARXRB | |
| SCHEMBL9258204 | 0.88 | CYP26A1 (0.48) | CYP26A1CYP3A4CYP26B1RXRARXRB | |
| SCHEMBL9259656 | 0.88 | CYP26A1 (0.48) | CYP26A1CYP3A4CYP26B1RXRARXRB | |
| SCHEMBL9255150 | 0.87 | GAA (0.46) | CYP26A1CYP3A4CYP26B1LMNAGAA | |
| SCHEMBL9255197 | 0.82 | NPC1 (0.38) | RXRARXRBMAPK1POLBMAPT | |
| SCHEMBL9263178 | 0.82 | HDAC6 (0.46) | RXRARXRBLMNAPOLBMAPT | |
| SCHEMBL9255440 | 0.77 | ALOX5 (0.39) | CYP3A4LMNAMAPK1POLBMAPT | |
| SCHEMBL9258905 | 0.74 | RXRA (0.46) | CYP26A1CYP3A4CYP26B1RXRARXRB | |
| SCHEMBL9263450 | 0.73 | PKM (0.47) | CYP26A1CYP3A4CYP26B1LMNAGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5432195-A | Anticholesterol | NIPPON SHINYAKU COMPANY LIMITED (JP) | 1995-07-11 | — | — | US | disclosed |
| EP-0601181-A1 | BENZOFURAN DERIVATIVE AND PHARMACEUTICAL COMPOSITION | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1994-06-15 | — | — | EP | disclosed |