Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8730020 | 0.81 | MEN1 (0.40) | TAAR1 | |
| SCHEMBL8728401 | 0.74 | MAOB (0.39) | TAAR1MAOBNUDT1BACE1 | |
| SCHEMBL8729734 | 0.70 | MEN1 (0.38) | TAAR1MAOBNUDT1BACE1CYP1A2 | |
| SCHEMBL8729727 | 0.70 | S1PR4 (0.43) | — | |
| Decarboxylated Derivative SCHEMBL7464892 | 0.68 | TAAR1 (0.66) | TAAR1MAOBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7214458 | 0.67 | PARP10 (0.56) | HPGD | |
| SCHEMBL8817195 | 0.66 | TAAR1 (0.53) | TAAR1MAOB | |
| SCHEMBL8729729 | 0.65 | NFE2L2 (0.40) | MAOB | |
| SCHEMBL4363948 | 0.63 | BACE1 (0.56) | TAAR1NUDT1BACE1CYP1A2CYP2A6 | |
| SCHEMBL9763012 | 0.63 | BACE1 (0.47) | TAAR1NUDT1BACE1CYP1A2CYP2A6 |
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-5726165-A | HYPOGLYCEMIC AGENTS; DIETETICS; GASTROINTESTINAL DISORDERS | SMITHKLINE BEECHAM P.L.C. (GB) | 1998-03-10 | — | — | US | disclosed |
| EP-0772585-A1 | ARYLOXY AND ARYLTHIOPROPANOLAMINE DERIVATIVES USEFUL AS BETA 3-ADRENORECEPTOR AGONISTS AND ANTAGONISTS OF THE BETA 1 AND BETA 2-ADRENORECEPTORS AND PHARMACEUTICAL COMPOSITION THEREOF | SMITHKLINE BEECHAM PLC (GB) | 1997-05-14 | — | — | EP | disclosed |
| WO-1996004233-A1 | ARYLOXY AND ARYLTHIOPROPANOLAMINE DERIVATIVES USEFUL AS BETA 3-ADRENORECEPTOR AGONISTS AND ANTAGONISTS OF THE BETA 1 AND BETA 2-ADRENORECEPTORS AND PHARMACEUTICAL COMPOSITION THEREOF | SMITHKLINE BEECHAM PLC (GB) | 1996-02-15 | — | — | WO | disclosed |