Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | PSEN1 | P49768 | 2/20 | 0.41 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.41 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.41 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.41 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.41 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| 3-Methylbutanol SCHEMBL11364355 | 0.88 | CYP2C19 (0.45) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL31476892 | 0.83 | CA2 (0.43) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| 1,3-Butanediol SCHEMBL9484102 | 0.80 | ALDH1A1 (0.43) | CYP2C19CYP2D6CYP1A2CYP3A4ALOX15 | |
| Isobutanol SCHEMBL28032479 | 0.79 | ALDH1A1 (0.47) | CYP2C19CYP2D6CYP1A2CYP3A4ALOX15 | |
| SCHEMBL1769854 | 0.79 | GRIN2D (0.41) | ALDH1A1LMNASMN1; SMN2HTTMEN1 | |
| SCHEMBL19650023 | 0.79 | GRIN2D (0.41) | ALDH1A1LMNASMN1; SMN2HTTMEN1 | |
| SCHEMBL16072479 | 0.79 | LMNA (0.39) | ALDH1A1LMNASMN1; SMN2HTTMEN1 | |
| SCHEMBL7210460 | 0.78 | CYP2D6 (0.42) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL16174536 | 0.78 | LMNA (0.42) | ALDH1A1LMNASMN1; SMN2KDM4EMAPT | |
| SCHEMBL16174535 | 0.78 | FUT7 (0.43) | ALDH1A1LMNASMN1; SMN2HTTMEN1 |
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-4305876-A | CULTURE PRODUCT INTERMEDIATE IN THE PREPARATION OF VITAMINS E AND K | HOFFMANN-LA ROCHE, INC. (US) | 1981-12-15 | — | — | US | disclosed |
| US-4138289-A | ASYMMETRIC HYDROGENATION BY MICROORGANISM, FERMENTATION | HOFFMANN-LA ROCHE INC. (US) | 1979-02-06 | — | — | US | disclosed |