Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.67 |
| ▸ | HTT | P42858 | 1/20 | 0.62 |
| ▸ | CASR | P41180 | 2/20 | 0.58 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.55 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.55 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.53 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10791088 | 0.99 | CYP2D6 (0.66) | CYP2D6HTTCASRADRB2ADRB1 | |
| SCHEMBL10792807 | 0.84 | ADRB1 (0.67) | CYP2D6ADRB2ADRB1ADRB3MEN1 | |
| Hydrochloric Acid SCHEMBL10790452 | 0.83 | ADRB1 (0.66) | CYP2D6ADRB2ADRB1ADRB3MEN1 | |
| SCHEMBL22957897 | 0.82 | CYP2D6 (1.00) | CYP2D6HTTCASRADRB2ADRB1 | |
| SCHEMBL9787233 | 0.80 | MEN1 (0.64) | CYP2D6ADRB2ADRB1ADRB3MEN1 | |
| SCHEMBL9787241 | 0.80 | MEN1 (0.64) | CYP2D6ADRB2ADRB1ADRB3MEN1 | |
| SCHEMBL22486710 | 0.79 | ADRB1 (0.74) | CYP2D6HTTADRB2ADRB1MEN1 | |
| SCHEMBL9684876 | 0.79 | ADRB1 (0.58) | ADRB2ADRB1ADRB3MEN1KMT2A | |
| SCHEMBL9684871 | 0.79 | ADRB1 (0.58) | ADRB2ADRB1ADRB3MEN1KMT2A | |
| SCHEMBL9685227 | 0.79 | MEN1 (0.51) | CYP2D6CASRADRB2ADRB1ADRB3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0041233-B1 | SUBSTITUTED PHENOXY-AMINOPROPANOL DERIVATIVES, INTERMEDIATES AND PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-02-15 | — | — | EP | claimed |