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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 7/20 | 0.59 |
| ▸ | MAOB | P27338 | 18/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9688230 | 0.84 | GRM5 (0.51) | GRM5MAOBNPC1ALDH1A1HPGD | |
| SCHEMBL27762328 | 0.83 | GRM5 (0.63) | GRM5MAOBNPC1ALDH1A1HPGD | |
| SCHEMBL27762425 | 0.81 | GRM5 (0.67) | GRM5MAOBNPC1ALDH1A1HPGD | |
| SCHEMBL29196216 | 0.79 | GRM5 (0.67) | GRM5MAOBNPC1ALDH1A1HPGD | |
| SCHEMBL10594209 | 0.79 | MAOB (0.59) | GRM5MAOBNPC1ALDH1A1HPGD | |
| SCHEMBL20179643 | 0.78 | GRM5 (0.63) | GRM5MAOBNPC1ALDH1A1HPGD | |
| SCHEMBL67621 | 0.78 | MAOB (0.60) | GRM5MAOBNPC1ALDH1A1HPGD | |
| SCHEMBL11386241 | 0.77 | MAOB (0.67) | GRM5MAOBNPC1ALDH1A1HPGD | |
| Cyclopropane SCHEMBL28516873 | 0.77 | MAOB (0.59) | GRM5MAOBNPC1ALDH1A1HPGD | |
| SCHEMBL14162499 | 0.75 | MAOB (0.64) | GRM5MAOBNPC1ALDH1A1HPGD |
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-0847394-A1 | 2-CYCLOHEXANE-1,3-DIONE BENZOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1998-06-17 | — | — | EP | disclosed |
| WO-1997009324-A1 | 2-CYCLOHEXANE-1,3-DIONE BENZOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1997-03-13 | — | — | WO | disclosed |