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 | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 11/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL9787784 | 0.94 | ADRB3 (0.54) | ADRB3KDM4ESMN1; SMN2MEN1KMT2A | |
| Alcohol SCHEMBL9787806 | 0.91 | ADRB3 (0.50) | ADRB3ADRB1TAAR1 | |
| Oxalic Acid SCHEMBL9787778 | 0.87 | ADRB3 (0.55) | ADRB3KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL9787809 | 0.85 | ADRB3 (0.51) | ADRB3MEN1KMT2AADRB1 | |
| SCHEMBL9494415 | 0.85 | ADRB3 (0.53) | ADRB3KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL9494401 | 0.85 | ADRB3 (0.53) | ADRB3KDM4ESMN1; SMN2MEN1KMT2A | |
| Alcohol SCHEMBL9787714 | 0.84 | ACACB (0.48) | ADRB3ALDH1A1ADRB1 | |
| Alcohol SCHEMBL9787792 | 0.84 | MEN1 (0.47) | ADRB3KDM4ESMN1; SMN2MEN1KMT2A | |
| Oxalic Acid SCHEMBL9787807 | 0.79 | ADRB3 (0.54) | ADRB3KDM4ESMN1; SMN2MEN1KMT2A | |
| Oxalic Acid SCHEMBL9787785 | 0.78 | ADRB3 (0.47) | ADRB3KDM4ESMN1; SMN2MEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5045567-A | Propanolamine derivatives having anti-diabetic effects | HOFFMANN-LA ROCHE INC. (US) | 1991-09-03 | — | — | US | disclosed |