Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 5/20 | 0.57 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.57 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.56 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | CNR1 | P21554 | 1/20 | 0.52 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.52 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
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 SCHEMBL10791450 | 0.99 | ADRB2 (0.56) | ADRB2ADRB1ADRB3ADRA1ACYP2D6 | |
| SCHEMBL7266770 | 0.87 | PTGS1 (0.68) | ADRB2ADRB1ADRB3ADRA1ACYP2D6 | |
| Hydrochloric Acid SCHEMBL7273437 | 0.86 | MAPT (0.68) | ADRB2ADRB1ADRB3ADRA1ACYP2D6 | |
| Flusoxolol SCHEMBL1255311 | 0.82 | ADRB1 (0.68) | ADRB2ADRB1ADRB3ADRA1ACYP2D6 | |
| Flusoxolol SCHEMBL10794595 | 0.82 | ADRB1 (0.68) | ADRB2ADRB1ADRB3ADRA1ACYP2D6 | |
| Flusoxolol SCHEMBL10794705 | 0.81 | ADRB1 (0.67) | ADRB2ADRB1ADRB3ADRA1ACYP2D6 | |
| SCHEMBL29358069 | 0.79 | ADRB2 (0.76) | ADRB2ADRB1ADRB3ADRA1ACYP2D6 | |
| SCHEMBL11094048 | 0.77 | ESR1 (0.41) | ADRB2ADRB1ADRB3CYP2D6TDP1 | |
| SCHEMBL13575765 | 0.76 | ADRB2 (0.67) | ADRB2ADRB1ADRB3ADRA1ACYP2D6 | |
| Hydrochloric Acid SCHEMBL10792415 | 0.75 | CASR (0.44) | LMNACNR1TSHR |
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-4649160-A | HYPOTENSIVE, ANTIARRHYTHMIA, ADRENERGIC BLOCKING AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1987-03-10 | — | — | US | claimed |
| 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 |
| US-4649160-A | HYPOTENSIVE, ANTIARRHYTHMIA, ADRENERGIC BLOCKING AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1987-03-10 | — | — | US | disclosed |