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 | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4033629 | 0.95 | ACHE (0.55) | ACHEBCHETSHRHSD17B10PKM | |
| SCHEMBL693396 | 0.88 | TSHR (0.51) | TSHRKCNJ1KCNH2 | |
| SCHEMBL9382983 | 0.87 | ACHE (0.52) | ACHEBCHETSHRHSD17B10PKM | |
| SCHEMBL9325413 | 0.86 | ACHE (0.51) | ACHEBCHETSHRHSD17B10PKM | |
| SCHEMBL18289524 | 0.83 | CA1 (0.50) | KMT2AMEN1ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL6906905 | 0.83 | CA1 (0.50) | KMT2AMEN1ALDH1A1CYP3A4CYP2C9 | |
| Alcohol SCHEMBL11364447 | 0.82 | TSHR (0.54) | TSHRKCNJ1KCNH2 | |
| SCHEMBL4432596 | 0.82 | CA1 (0.49) | KMT2AMEN1MAPTALDH1A1 | |
| SCHEMBL26230893 | 0.81 | F2 (0.49) | ACHEBCHETSHRKCNJ1KCNH2 | |
| SCHEMBL197968 | 0.81 | ACHE (0.57) | ACHEBCHEHSD17B10PKMKMT2A |
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-1562919-A1 | PHENYLALKYL AND PYRIDYLALKYL PIPERAZINE DERIVATIVES | Warner-Lambert Company LLC (US) | 2005-08-17 | — | — | EP | disclosed |
| WO-2004041793-A1 | PHENYLALKYL AND PYRIDYLALKYL PIPERAZINE DERIVATIVES | WARNER-LAMBERT COMPANY LLC (US) | 2004-05-21 | — | — | WO | disclosed |