Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | ESR1 | P03372 | 4/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.52 |
| ▸ | CES2 | O00748 | 3/20 | 0.37 |
| ▸ | CES1 | P23141 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL5271349 | 0.95 | TDP1 (0.67) | TDP1CYP3A4ESR1ESR2CES2 | |
| Alcohol SCHEMBL28689812 | 0.92 | TDP1 (0.63) | TDP1CYP3A4ESR1ESR2CES2 | |
| Alcohol SCHEMBL18838940 | 0.92 | TDP1 (0.63) | TDP1CYP3A4ESR1ESR2CES2 | |
| Biphenyl SCHEMBL7871199 | 0.88 | CYP3A4 (0.57) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Propanol SCHEMBL16974060 | 0.85 | TDP1 (0.60) | TDP1CYP3A4ESR1ESR2CES2 | |
| Propanol SCHEMBL28075590 | 0.85 | TDP1 (0.60) | TDP1CYP3A4ESR1ESR2CES2 | |
| Propane SCHEMBL27796760 | 0.84 | CYP3A4 (0.75) | TDP1CYP3A4ESR1ESR2CES2 | |
| Propane SCHEMBL28233649 | 0.84 | CYP3A4 (0.75) | TDP1CYP3A4ESR1ESR2CES2 | |
| Phosphine SCHEMBL28252299 | 0.84 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Propanol SCHEMBL29025763 | 0.83 | TDP1 (0.57) | TDP1CYP3A4ESR1ESR2CES2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109647527-A | A method of scrapping rhodium homogeneous catalyst regeneration | 北京科技大学 | 2019-04-19 | — | — | CN | disclosed |