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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9186664 | 0.94 | MEN1 (0.35) | ALDH1A1TSHRMAPK1MEN1USP2 | |
| SCHEMBL36074 | 0.94 | — | — | |
| SCHEMBL18229469 | 0.86 | MEN1 (0.32) | ALDH1A1TSHRMAPK1MEN1USP2 | |
| SCHEMBL5173092 | 0.85 | — | — | |
| SCHEMBL4808596 | 0.78 | LMNA (0.48) | — | |
| Isobutyraldehyde SCHEMBL18229468 | 0.78 | — | — | |
| SCHEMBL28600153 | 0.78 | ACLY (0.36) | ALDH1A1TSHRCYP2D6HIF1A | |
| SCHEMBL11250660 | 0.73 | — | — | |
| SCHEMBL123788 | 0.71 | — | — | |
| SCHEMBL195748 | 0.71 | — | — |
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-109232177-B | Method for preparing neopentyl glycol through catalytic hydrogenation | 江苏开磷瑞阳化工股份有限公司 | 2021-05-07 | — | — | CN | claimed |
| CN-109232177-B | Method for preparing neopentyl glycol through catalytic hydrogenation | 江苏开磷瑞阳化工股份有限公司 | 2021-05-07 | — | — | CN | disclosed |