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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 7/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
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 SCHEMBL11289619 | 0.93 | MAPT (0.44) | KMT2AMEN1ESR1POLBESR2 | |
| Alcohol SCHEMBL11283473 | 0.91 | KMT2A (0.36) | KMT2AMEN1ESR1ESR2MAPT | |
| Alcohol SCHEMBL11282266 | 0.90 | ESR1 (0.38) | KMT2AMEN1ESR1ESR2MAPT | |
| Alcohol SCHEMBL11284474 | 0.86 | MAPT (0.36) | KMT2AMEN1ESR1POLBESR2 | |
| Alcohol SCHEMBL11283526 | 0.85 | KDM4E (0.36) | KMT2AMEN1ESR1POLBESR2 | |
| Alcohol SCHEMBL11282468 | 0.84 | THRB (0.34) | MAPTTHRBLMNAADRB2CYP3A4 | |
| Alcohol SCHEMBL11280907 | 0.83 | ALDH1A1 (0.38) | LMNAADRB2CYP3A4CA2 | |
| Alcohol SCHEMBL11290646 | 0.83 | TSHR (0.38) | KMT2AMEN1ESR1POLBESR2 | |
| Alcohol SCHEMBL11283321 | 0.82 | TSHR (0.36) | KMT2AMEN1ESR1ESR2MAPT | |
| Alcohol SCHEMBL11286254 | 0.82 | NFKB1 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4336400-A | BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS | STERLING DRUG INC. (US) | 1982-06-22 | — | — | US | claimed |
| US-4336400-A | BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS | STERLING DRUG INC. (US) | 1982-06-22 | — | — | US | disclosed |
| US-RE30241-E | BRONCHODILATION, ADRENERGIC STIMULANTS | STERLING DRUG INC. (US) | 1980-03-25 | — | — | US | disclosed |
| US-4138581-A | BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS | STERLING DRUGS INC. (US) | 1979-02-06 | — | — | US | disclosed |