Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Butyl Alcohol. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ALB | P02768 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SNCA | P37840 | 1/20 | 0.41 |
| ▸ | G6PD | P11413 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Butyl Alcohol SCHEMBL359238 | 0.98 | ALDH1A1 (0.45) | ALDH1A1LMNACYP2C9TDP1ALB | |
| Butyl Alcohol SCHEMBL9636993 | 0.96 | ALDH1A1 (0.46) | ALDH1A1LMNACYP2C9TDP1ALB | |
| Cetostearyl Alcohol SCHEMBL2194656 | 0.90 | MCHR1 (0.50) | ALDH1A1LMNACYP2C9TDP1ALB | |
| Octanol SCHEMBL27906975 | 0.90 | MCHR1 (0.50) | ALDH1A1LMNACYP2C9TDP1ALB | |
| Cetyl Alcohol SCHEMBL27625313 | 0.90 | MCHR1 (0.50) | ALDH1A1LMNACYP2C9TDP1ALB | |
| Alcohol SCHEMBL416962 | 0.89 | ALDH1A1 (0.50) | ALDH1A1LMNACYP2C9TDP1TSHR | |
| Decanol SCHEMBL8858135 | 0.88 | MCHR1 (0.49) | ALDH1A1LMNACYP2C9TDP1ALB | |
| 1,3-Propanediol SCHEMBL3302630 | 0.87 | ALDH1A1 (0.50) | ALDH1A1LMNACYP2C9TDP1TSHR | |
| Propanol SCHEMBL28768546 | 0.87 | ALDH1A1 (0.49) | ALDH1A1LMNACYP2C9TDP1TSHR | |
| Pentane SCHEMBL28482247 | 0.87 | ALDH1A1 (0.50) | ALDH1A1LMNACYP2C9TDP1ALB |
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 |
|---|---|---|---|---|---|---|---|
| CN-113024421-B | Purification method of p-toluenesulfonic acid iron solution | 惠州市宙邦化工有限公司 | 2022-06-28 | — | — | CN | disclosed |
| CN-113024421-A | Purification method of p-toluenesulfonic acid iron solution | 惠州市宙邦化工有限公司 | 2021-06-25 | — | — | CN | disclosed |