Predicted protein targets (top 20)
| 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 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HTR5A | P47898 | 1/20 | 0.43 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.42 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.42 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 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 | |
|---|---|---|---|---|
| SCHEMBL5947266 | 0.82 | KDM4E (0.56) | CYP1A2CYP3A4CYP2D6CYP2C19CHRM2 | |
| SCHEMBL27614616 | 0.77 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C19CHRM2 | |
| SCHEMBL27614687 | 0.76 | EPHX2 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C19CHRM2 | |
| SCHEMBL27595899 | 0.74 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C19CHRM2 | |
| SCHEMBL2538044 | 0.73 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C19CHRM2 | |
| SCHEMBL7774786 | 0.72 | CHRM2 (0.81) | CYP1A2CYP3A4CYP2D6CYP2C19CHRM2 | |
| SCHEMBL27614836 | 0.72 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C19CHRM2 | |
| SCHEMBL5947765 | 0.72 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C19CHRM2 | |
| SCHEMBL15416877 | 0.70 | HDAC1 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C19CHRM2 | |
| SCHEMBL2533896 | 0.70 | BCHE (0.57) | 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 |