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 | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.38 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29469331 | 0.87 | GPR3 (0.46) | GPR3HTR2APOLBCYP2D6HDAC3 | |
| SCHEMBL29469332 | 0.87 | GPR3 (0.46) | GPR3HTR2APOLBCYP2D6HDAC3 | |
| SCHEMBL6903531 | 0.87 | GPR3 (0.46) | GPR3HTR2APOLBCYP2D6HDAC3 | |
| SCHEMBL29503342 | 0.87 | GPR3 (0.46) | GPR3HTR2APOLBCYP2D6HDAC3 | |
| SCHEMBL6903537 | 0.87 | GPR3 (0.46) | GPR3HTR2APOLBCYP2D6HDAC3 | |
| SCHEMBL17772053 | 0.80 | ACHE (0.39) | GPR3HTR2AACHEBCHEPOLB | |
| SCHEMBL12727875 | 0.73 | GPR3 (0.40) | GPR3HTR2AACHEBCHEPOLB | |
| Alcohol SCHEMBL16265494 | 0.73 | HTR2A (0.45) | HTR2AACHEBCHESLC22A2SLC22A3 | |
| SCHEMBL23005422 | 0.71 | HTR2A (0.43) | GPR3HTR2APOLBCYP2D6HDAC3 | |
| SCHEMBL3994733 | 0.71 | CYP2D6 (0.55) | POLBCYP2D6HDAC3HDAC4HDAC7 |
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-112225885-B | Copolyester and preparation method thereof | 万华化学集团股份有限公司 | 2022-04-22 | — | — | CN | disclosed |
| CN-112225885-A | Copolyester and preparation method thereof | 万华化学集团股份有限公司 | 2021-01-15 | — | — | CN | disclosed |