Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 4/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | FNTA | P49354 | 1/20 | 0.44 |
| ▸ | FNTB | P49356 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 3/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27595872 | 0.82 | ROCK1 (0.53) | CYP2D6FNTAFNTB | |
| SCHEMBL15265159 | 0.78 | CA1 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C19CHRM2 | |
| SCHEMBL5947401 | 0.77 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C19CHRM2 | |
| SCHEMBL27614678 | 0.76 | MC5R (0.67) | — | |
| SCHEMBL8434860 | 0.76 | SERPINE1 (0.50) | CYP1A2CYP2C19NR1I3 | |
| SCHEMBL25681090 | 0.74 | SERPINE1 (0.49) | CYP1A2CYP2C19NR1I3 | |
| SCHEMBL27614616 | 0.74 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C19CHRM2 | |
| SCHEMBL5947765 | 0.74 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C19CHRM2 | |
| SCHEMBL27614687 | 0.73 | EPHX2 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C19CHRM2 | |
| SCHEMBL3878291 | 0.73 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C19CHRM2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1610547-A | N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor | LILLY CO ELI (US) | 2005-04-27 | — | — | CN | claimed |