Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8622879 | 0.89 | CYP2A6 (0.32) | CYP2A6CYP2A13ALDH1A1TSHR | |
| SCHEMBL8624124 | 0.79 | GRIA1 (0.34) | — | |
| SCHEMBL8619777 | 0.77 | DRD2 (0.36) | — | |
| SCHEMBL8623398 | 0.76 | HTR2C (0.30) | — | |
| SCHEMBL8993230 | 0.73 | CYP2A6 (0.34) | CYP2A6CYP2A13ALDH1A1TSHR | |
| SCHEMBL8623944 | 0.72 | CYP2A6 (0.32) | CYP2A6CYP2A13ALDH1A1TSHR | |
| SCHEMBL8626195 | 0.72 | METAP2 (0.31) | — | |
| SCHEMBL8624076 | 0.70 | CHRM3 (0.38) | ALDH1A1TSHR | |
| SCHEMBL10831788 | 0.69 | POLB (0.39) | CYP2A6ALDH1A1TSHR | |
| SCHEMBL24718000 | 0.69 | ALDH1A1 (0.42) | CYP2A6CYP2A13ALDH1A1TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5708015-A | SENSITIVE ALPHA 2 ADRENERGIC RECEPTORS | ALLERGAN (US) | 1998-01-13 | — | — | US | disclosed |
| US-5580892-A | ANTIDIARRHETIC, ANTISPASTIC, ANTIEPILEPTIC AGENTS; DIURETICS | ALLERGAN | 1996-12-03 | — | — | US | disclosed |
| EP-0724439-A1 | USE OF 2-(2-ALKYLPHENYLAMINO)-OXAZOLINES, -THIAZOLINES AND -IMIDAZOLINES AS ALPHA 2 ADRENERGIC AGENTS | Allergan (US) | 1996-08-07 | — | — | EP | disclosed |
| WO-1995011021-A1 | USE OF 2-(2-ALKYLPHENYLAMINO)-OXAZOLINES, -THIAZOLINES AND -IMIDAZOLINES AS ALPHA 2 ADRENERGIC AGENTS | ALLERGAN (US) | 1995-04-27 | — | — | WO | disclosed |
| US-5252595-A | Method for reducing or maintaining intraocular pressure in the mammalian eye by administering pharmaceutical compositions containing 2-(2-alkylphenylamino)-oxazolines, 2-(2-alkylphenylamino)-thiazolines and 2-(2-alkylphenylamino)-imidazolines | ALLERGAN, INC. (US) | 1993-10-12 | — | — | US | disclosed |