Known targets — ChEMBL curated mechanism
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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 | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 7/20 | 0.79 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.79 |
| ▸ | HTR3B | O95264 | 4/20 | 0.79 |
| ▸ | HTR3A | P46098 | 4/20 | 0.79 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.79 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.79 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.79 |
| ▸ | LTA4H | P09960 | 2/20 | 0.65 |
| ▸ | CETP | P11597 | 5/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.52 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL894618 | 0.89 | ADRB1 (1.00) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL219742 | 0.89 | ADRB1 (1.00) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL708482 | 0.87 | ADRB1 (0.96) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL314621 | 0.87 | ADRB1 (0.96) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Propylamine SCHEMBL8390972 | 0.86 | ADRB1 (0.73) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Methylethylamine SCHEMBL8390974 | 0.86 | ADRB1 (0.73) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Bicarbonate SCHEMBL11625611 | 0.84 | ADRB1 (0.81) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7527162 | 0.83 | ADRB1 (0.88) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL588594 | 0.82 | ADRB1 (0.79) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Phenylpiperazine SCHEMBL10652996 | 0.81 | ADRB1 (0.77) | ADRB1HTR3EHTR3BHTR3AHTR3D |
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-4093724-A | ANALGESICS | ROUSSEL UCLAF (FR) | 1978-06-06 | — | — | US | disclosed |