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 | 0.62 |
| ▸ | CDC25B | P30305 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL11304398 | 0.87 | KDM4E (0.46) | TSHRL3MBTL1ALDH1A1HSD17B10LMNA | |
| SCHEMBL4463486 | 0.84 | TSHR (0.70) | TSHRCDC25BL3MBTL1ALDH1A1HSD17B10 | |
| SCHEMBL29619268 | 0.84 | TSHR (0.75) | TSHRCDC25BL3MBTL1ALDH1A1HSD17B10 | |
| SCHEMBL195278 | 0.84 | TSHR (0.75) | TSHRCDC25BL3MBTL1ALDH1A1HSD17B10 | |
| SCHEMBL29121130 | 0.83 | TSHR (0.68) | TSHRCDC25BL3MBTL1ALDH1A1HSD17B10 | |
| SCHEMBL4733061 | 0.83 | TSHR (0.68) | TSHRCDC25BL3MBTL1ALDH1A1HSD17B10 | |
| Diethyl Phthalate SCHEMBL27838786 | 0.82 | TSHR (0.91) | TSHRCDC25BL3MBTL1ALDH1A1HSD17B10 | |
| SCHEMBL9356956 | 0.82 | TSHR (0.66) | TSHRCDC25BL3MBTL1ALDH1A1HSD17B10 | |
| SCHEMBL31009568 | 0.81 | TSHR (0.88) | TSHRCDC25BL3MBTL1ALDH1A1HSD17B10 | |
| SCHEMBL9379355 | 0.81 | TSHR (0.88) | TSHRCDC25BL3MBTL1ALDH1A1HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0005530-B1 | NEW MERCAPTOPHENYLKETONES AND THEIR USE AS INITIATORS FOR THE PHOTOPOLYMERISATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | CIBA-GEIGY AG (CH) | 1982-05-12 | — | — | EP | disclosed |
| US-4279721-A | Mercaptophenyl ketones as initiators for the photopolymerization of ethylenically unsaturated compounds | CIBA-GEIGY CORPORATION (US) | 1981-07-21 | — | — | US | disclosed |
| EP-0005530-A1 | New mercaptophenylketones and their use as initiators for the photopolymerisation of ethylenically unsaturated compounds | CIBA-GEIGY AG (CH) | 1979-11-28 | — | — | EP | disclosed |