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 | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 3/20 | 0.55 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.55 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.55 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.55 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.55 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.55 |
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7309035 | 0.88 | GABRA1 (0.61) | OPRK1GABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL7308451 | 0.87 | GABRA1 (0.59) | OPRK1GABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL7306700 | 0.85 | GABRA1 (0.62) | OPRK1GABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL11271607 | 0.85 | GABRA1 (0.57) | OPRK1GABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL7317287 | 0.83 | GABRA1 (0.57) | OPRK1GABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL7303969 | 0.83 | GABRA1 (0.59) | OPRK1GABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL7314038 | 0.81 | GABRA1 (0.67) | OPRK1GABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL11710484 | 0.80 | OPRK1 (0.57) | OPRK1GABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL7312348 | 0.79 | OPRK1 (0.64) | OPRK1GABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL7311446 | 0.78 | GABRA1 (0.58) | OPRK1GABRA1GABRA5GABRA3GABRA2 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4440685-A | MUSCLE RELAXANTS, SEDATIVES, ANTICONVULSANTS | HOFFMANN-LA ROCHE INC. (US) | 1984-04-03 | — | — | US | disclosed |
| US-4425272-A | ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES | HOFFMANN-LA ROCHE INC. (US) | 1984-01-10 | — | — | US | disclosed |
| US-4401597-A | INTERMEDIATES FOR ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVE AND ANXIOLYTICS | HOFFMANN-LA ROCHE INC. (US) | 1983-08-30 | — | — | US | disclosed |
| US-4390471-A | INTERMEDIATES FOR IMIDOBENZODIAZEPINE AND ANALOGS | HOFFMANN-LA ROCHE INC. (US) | 1983-06-28 | — | — | US | disclosed |
| US-4377523-A | Imidazodiazepines and processes therefor | HOFFMANN-LA ROCHE INC. (US) | 1983-03-22 | — | — | US | disclosed |
| US-4376075-A | REACTION OF AN AMINODERIVATIVE THEREOF WITH AN ALDEHYDE | HOFFMANN-LA ROCHE INC. (US) | 1983-03-08 | — | — | US | disclosed |
| US-4376074-A | ANTICONVULSANTS, MUSCLE RELAXANTS AND SEDATIVES | HOFFMANN-LA ROCHE INC. (US) | 1983-03-08 | — | — | US | disclosed |
| US-4371468-A | ANTICONVULSANTS, MUSCLE RELAXANTS, AND SEDATIVES | HOFFMANN-LA ROCHE INC. (US) | 1983-02-01 | — | — | US | disclosed |
| US-4368157-A | ANTICONVULSANTS, MUSCLE RELAXANTS, TRANQUILIZERS, SEDATIVES | HOFFMANN-LA ROCHE INC. (US) | 1983-01-11 | — | — | US | disclosed |
| US-4368159-A | ANTICONVULSANTS, MUSCLE RELAXANTS, TRANQUILIZERS, SEDATIVES | HOFFMANN-LA ROCHE INC. (US) | 1983-01-11 | — | — | US | disclosed |
| US-4368158-A | ANTICONVULSANTS, MUSCLE RELAXANTS, TRANQUILIZERS, SEDATIVES | HOFFMANN-LA ROCHE INC. (US) | 1983-01-11 | — | — | US | disclosed |
| US-4347365-A | ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES | HOFFMANN-LA ROCHE INC. (US) | 1982-08-31 | — | — | US | disclosed |
| US-4347364-A | INTERMEDIATES THEREFOR | HOFFMANN-LA ROCHE INC. (US) | 1982-08-31 | — | — | US | disclosed |
| US-4307237-A | ANTICONVULSANTS, SEDATIVES, MUSCLE RELAXANTS | HOFFMANN-LA ROCHE INC. (US) | 1981-12-22 | — | — | US | disclosed |
| US-4280957-A | Imidazodiazepines and processes therefor | HOFFMANN-LA ROCHE INC. (US) | 1981-07-28 | — | — | US | disclosed |