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 | |
|---|---|---|---|---|
| ▸ | SETD7 | Q8WTS6 | 5/20 | 0.57 |
| ▸ | HRH1 | P35367 | 6/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.48 |
| ▸ | HTR1A | P08908 | 4/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.48 |
| ▸ | DRD1 | P21728 | 4/20 | 0.48 |
| ▸ | DRD3 | P35462 | 4/20 | 0.48 |
| ▸ | HTR2A | P28223 | 4/20 | 0.48 |
| ▸ | HTR2C | P28335 | 4/20 | 0.48 |
| ▸ | HTR2B | P41595 | 4/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.48 |
| ▸ | DRD2 | P14416 | 3/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11794079 | 0.95 | SETD7 (0.64) | SETD7HRH1CHRM2CHRM1ADRA1A | |
| Danitracen SCHEMBL2734228 | 0.83 | SETD7 (0.67) | SETD7HRH1CHRM2CHRM1ADRA1A | |
| Danitracen SCHEMBL29387690 | 0.83 | SETD7 (0.67) | SETD7HRH1CHRM2CHRM1ADRA1A | |
| SCHEMBL11626197 | 0.80 | SETD7 (0.66) | SETD7HRH1CHRM2CHRM1ADRA1A | |
| SCHEMBL11622539 | 0.80 | SETD7 (0.66) | SETD7HRH1CHRM2CHRM1ADRA1A | |
| SCHEMBL11626199 | 0.80 | SETD7 (0.66) | SETD7HRH1CHRM2CHRM1ADRA1A | |
| SCHEMBL11810102 | 0.79 | ADRA1D (0.43) | SETD7HRH1ADRA1AADRA2ADRD1 | |
| SCHEMBL12909408 | 0.77 | HRH1 (0.72) | SETD7HRH1CHRM2CHRM1ADRA1A | |
| Danitracen SCHEMBL21646077 | 0.76 | SETD7 (0.75) | SETD7HRH1CHRM2CHRM1ADRA1A | |
| SCHEMBL7817056 | 0.75 | SETD7 (1.00) | SETD7HRH1CHRM2CHRM1ADRA1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3981876-A | ANTIHISTAMINES, APPETITE STIMULANTS | MERCK & CO., INC. (US) | 1976-09-21 | — | — | US | disclosed |
| US-3968115-A | OR 11)-BROMO-10,11-DIHYDRO-5H-DIBENZO(A,D)-CYCLOHEPTEN-5-YLIDENE PIPERIDINE COMPOUNDSANTIHISTAMINE, APPETITE STIMULANT | MERCK & CO., INC. (US) | 1976-07-06 | — | — | US | disclosed |
| US-3960872-A | ANTIHISTAMINES, APPETITE STIMULANT | MERCK & CO., INC. (US) | 1976-06-01 | — | — | US | disclosed |