Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.31 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8993230 | 0.90 | CYP2A6 (0.34) | CYP2A6CYP2A13ALDH1A1TSHR | |
| SCHEMBL8622879 | 0.73 | CYP2A6 (0.32) | CYP2A6CYP2A13ALDH1A1TSHR | |
| SCHEMBL8993415 | 0.71 | CYP2A6 (0.31) | CYP2A6CYP2A13ALDH1A1TSHR | |
| SCHEMBL8625418 | 0.62 | CYP2A6 (0.35) | CYP2A6CYP2A13ALDH1A1TSHR | |
| SCHEMBL7044884 | 0.62 | TAAR1 (0.47) | CYP2A6CYP2A13ALDH1A1TSHR | |
| SCHEMBL597327 | 0.61 | CYP2A6 (0.41) | CYP2A6CYP2A13ALDH1A1TSHR | |
| SCHEMBL16942504 | 0.59 | ALDH1A1 (0.38) | CYP2A6CYP2A13ALDH1A1TSHR | |
| SCHEMBL4978587 | 0.58 | CYP2A6 (0.41) | CYP2A6CYP2A13ALDH1A1TSHR | |
| SCHEMBL16942502 | 0.57 | ALDH1A1 (0.40) | CYP2A6CYP2A13ALDH1A1TSHR | |
| SCHEMBL14959161 | 0.57 | HTR1D (0.33) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |