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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.47 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1970696 | 0.89 | TDP1 (0.54) | TDP1GPR35TSHRSMN1; SMN2ALDH1A1 | |
| Alcohol SCHEMBL27548373 | 0.78 | HSD17B10 (0.58) | TDP1GPR35TSHRALDH1A1HSD17B10 | |
| SCHEMBL3071233 | 0.78 | TDP1 (0.61) | TDP1GPR35TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL10507144 | 0.76 | ALDH1A1 (0.52) | TDP1GPR35TSHRSMN1; SMN2ALDH1A1 | |
| Butane SCHEMBL27782325 | 0.76 | HSD17B10 (0.50) | TDP1GPR35TSHRSMN1; SMN2ALDH1A1 | |
| Alcohol SCHEMBL28325416 | 0.75 | HSD17B10 (0.54) | TDP1GPR35TSHRALDH1A1HSD17B10 | |
| Butane SCHEMBL27782304 | 0.74 | HSD17B10 (0.48) | TDP1GPR35TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL10690384 | 0.74 | ALDH1A1 (0.49) | TDP1GPR35TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL7579996 | 0.73 | GPR35 (0.62) | TDP1GPR35TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL3263404 | 0.73 | TDP1 (0.72) | TDP1GPR35TSHRSMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0107614-B1 | REACTIVE DYES, THEIR PREPARATION AND THEIR USE | CIBA-GEIGY AG (CH) | 1987-10-21 | — | — | EP | claimed |
| US-4585460-A | COTTON | CIBA-GEIGY CORPORATION (US) | 1986-04-29 | — | — | US | disclosed |