Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | NOS1 | P29475 | 5/20 | 0.45 |
| ▸ | NOS3 | P29474 | 4/20 | 0.45 |
| ▸ | NOS2 | P35228 | 2/20 | 0.45 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL27614687 | 0.88 | EPHX2 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C19CHRM2 | |
| SCHEMBL5947233 | 0.81 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19CHRM2 | |
| SCHEMBL28753877 | 0.81 | ROCK1 (0.53) | SCN8ATAAR1MEN1KMT2ACNR1 | |
| SCHEMBL27614768 | 0.77 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C19CHRM2 | |
| SCHEMBL25584988 | 0.76 | SCN8A (0.59) | CYP1A2CYP3A4CYP2D6CYP2C19SCN8A | |
| SCHEMBL2538044 | 0.75 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C19CHRM2 | |
| SCHEMBL27684280 | 0.74 | ATM (0.54) | TAAR1CNR1CNR2 | |
| SCHEMBL7774786 | 0.74 | CHRM2 (0.81) | CYP1A2CYP3A4CYP2D6CYP2C19CHRM2 | |
| SCHEMBL27614836 | 0.74 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C19CHRM2 | |
| SCHEMBL5947316 | 0.73 | CYP1A2 (0.51) | 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 |