Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | ALPI | P09923 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | XIAP | P98170 | 1/20 | 0.45 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.44 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.44 |
| ▸ | LAP3 | P28838 | 3/20 | 0.42 |
| ▸ | CPA1 | P15085 | 2/20 | 0.42 |
| ▸ | CPA3 | P15088 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.42 |
| ▸ | ANPEP | P15144 | 1/20 | 0.42 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.42 |
| ▸ | CPB1 | P15086 | 1/20 | 0.42 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.42 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30598261 | 0.80 | CYP1A2 (0.50) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL10914575 | 0.77 | CYP1A2 (0.47) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL2517901 | 0.77 | CYP1A2 (0.47) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL16836842 | 0.77 | ALPI (0.53) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL3862224 | 0.77 | ALPI (0.53) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL8467572 | 0.77 | NPC1 (0.48) | CYP1A2ALPIPKMPTGS1XIAP | |
| Bromide SCHEMBL6929745 | 0.75 | ALPI (0.52) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL28102804 | 0.75 | NPC1 (0.47) | CYP1A2ALPIPKMPTGS1XIAP | |
| Isobutylbenzene SCHEMBL27855821 | 0.74 | PTGS1 (0.50) | CYP1A2PTGS1TRPA1TAAR1 | |
| SCHEMBL15451165 | 0.72 | CYP1A2 (0.42) | CYP1A2ALPIPKMPTGS1XIAP |
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 4 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-1996004234-A1 | ARYLOXY ANDARYCTHIO PROPANOLAMINE DERIVATIVES USEFUL AS B3-ADRENORECEPTOR AGONISTS AND ANTAGONS OF THE B1 AND B2 ADRENORECEPTORS AND PHARMACEUTICAL COMPOSITION THEREOF | SMITHKLINE BEECHAM PLC (GB) | 1996-02-15 | — | — | WO | 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 |