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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28068606 | 0.97 | TSHR (0.54) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL28257369 | 0.96 | TSHR (0.53) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| Propene SCHEMBL27630347 | 0.95 | TSHR (0.51) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL28113291 | 0.93 | TSHR (0.50) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL28112884 | 0.93 | TSHR (0.50) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| Isopropyl Alcohol SCHEMBL28341427 | 0.92 | TSHR (0.49) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL28254775 | 0.91 | TSHR (0.46) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| Methacrylic Acid SCHEMBL28835386 | 0.90 | TSHR (0.47) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| Methacrylic Acid SCHEMBL28056460 | 0.90 | TSHR (0.47) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL28226772 | 0.89 | TSHR (0.46) | TSHRHPGDALDH1A1CYP3A4TP53 |
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-108756105-A | A kind of green building heat insulating board | 新沂市中诺新材料科技有限公司 | 2018-11-06 | — | — | CN | disclosed |
| CN-108641592-A | A kind of preparation method of novel heat insulation material | 新沂市中诺新材料科技有限公司 | 2018-10-12 | — | — | CN | disclosed |