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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | LTA4H | P09960 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL76347 | 0.95 | — | — | |
| Rubidium SCHEMBL4811660 | 0.92 | TSHR (0.40) | TSHRADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL4808794 | 0.92 | TSHR (0.40) | TSHRADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL251655 | 0.92 | TSHR (0.40) | TSHRADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL4812719 | 0.92 | TSHR (0.40) | TSHRADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL29286190 | 0.92 | TSHR (0.40) | TSHRADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL28470868 | 0.92 | TSHR (0.40) | TSHRADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL4810989 | 0.92 | TSHR (0.40) | TSHRADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL27916913 | 0.92 | TSHR (0.40) | TSHRADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL10631648 | 0.90 | TSHR (0.39) | TSHRADRB2ADRB1ADRB3ALDH1A1 |
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-107303484-B | A kind of preparation method and hydrotreating catalyst of siliceous macropore alumina supporter | 中国石油化工股份有限公司 | 2019-10-15 | — | — | CN | disclosed |