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 | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 3/20 | 0.50 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30281405 | 0.96 | TYR (0.53) | TYRAMY1ATP53NPC1MAPK1 | |
| SCHEMBL21908 | 0.96 | TYR (0.53) | TYRAMY1ATP53NPC1MAPK1 | |
| SCHEMBL27882143 | 0.94 | TYR (0.52) | TYRAMY1ATP53NPC1MAPK1 | |
| SCHEMBL28271320 | 0.94 | TYR (0.52) | TYRAMY1ATP53NPC1MAPK1 | |
| SCHEMBL28328940 | 0.94 | TYR (0.52) | TYRAMY1ATP53NPC1MAPK1 | |
| Dimethylamine SCHEMBL5133347 | 0.91 | AMY1A (0.53) | TYRAMY1ATP53NPC1MAPK1 | |
| SCHEMBL572809 | 0.91 | TYR (0.56) | TYRAMY1ATP53HTTTRPA1 | |
| SCHEMBL1021853 | 0.89 | TYR (0.59) | TYRAMY1ATP53POLBHTT | |
| SCHEMBL361376 | 0.89 | TYR (0.59) | TYRAMY1ATP53POLBHTT | |
| SCHEMBL9504207 | 0.89 | TYR (0.59) | TYRAMY1ATP53POLBHTT |
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-109507351-A | A kind of derivatization method and its analyzing detecting method of oxysterol substance | 大连大学 | 2019-03-22 | — | — | CN | disclosed |