Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | LAP3 | P28838 | 4/20 | 0.46 |
| ▸ | ANPEP | P15144 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8729786 | 0.96 | SLC6A2 (0.50) | CYP2C9CYP2C19SLC6A4SLC6A2TAAR1 | |
| SCHEMBL8727310 | 0.84 | CYP2C9 (0.47) | CYP2C9CYP2C19SLC6A4SLC6A2TAAR1 | |
| SCHEMBL8636517 | 0.82 | SLC6A4 (0.50) | CYP2C9CYP2C19SLC6A4SLC6A2TAAR1 | |
| SCHEMBL8758035 | 0.81 | ADRB3 (0.48) | CYP2C9CYP2C19SLC6A4SLC6A2TAAR1 | |
| SCHEMBL8732233 | 0.81 | ADRB3 (0.48) | CYP2C9CYP2C19SLC6A4SLC6A2TAAR1 | |
| SCHEMBL8727063 | 0.80 | PTPN1 (0.55) | SLC6A4SLC6A2TAAR1SLC6A3 | |
| SCHEMBL8727070 | 0.80 | PTPN1 (0.55) | SLC6A4SLC6A2TAAR1SLC6A3 | |
| SCHEMBL8818957 | 0.78 | SLC6A4 (0.50) | SLC6A4SLC6A2TAAR1MAOASLC6A3 | |
| SCHEMBL8818952 | 0.78 | SLC6A4 (0.50) | SLC6A4SLC6A2TAAR1MAOASLC6A3 | |
| SCHEMBL8729694 | 0.78 | MAOB (0.42) | CYP2C9CYP2C19SLC6A4SLC6A2TAAR1 |
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 |