Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | SCN8A | Q9UQD0 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 2/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.43 |
| ▸ | CLK1 | P49759 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | CDK8 | P49336 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | VNN1 | O95497 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27595878 | 0.89 | ROCK1 (0.54) | ROCK1KDM4EMEN1KMT2ASCN8A | |
| SCHEMBL27595918 | 0.86 | ROCK1 (0.56) | ROCK1KDM4EMEN1KMT2ASCN8A | |
| SCHEMBL5947190 | 0.82 | KDM4E (0.60) | ROCK1KDM4EMEN1KMT2ASCN8A | |
| SCHEMBL27614616 | 0.81 | CYP1A2 (0.54) | MEN1KMT2ASCN8ATAAR1CNR1 | |
| SCHEMBL27595877 | 0.79 | ROCK1 (0.56) | ROCK1KDM4EMEN1KMT2ASCN8A | |
| SCHEMBL22579188 | 0.79 | KDM4E (0.63) | ROCK1KDM4EMEN1KMT2ASCN8A | |
| Hydrochloric Acid SCHEMBL11847984 | 0.77 | MEN1 (0.62) | ROCK1KDM4EMEN1KMT2ASCN8A | |
| SCHEMBL27595926 | 0.77 | ROCK1 (0.54) | ROCK1KDM4EMEN1KMT2ASCN8A | |
| SCHEMBL27684281 | 0.77 | IDO1 (0.51) | GRIN1GRIN2B | |
| SCHEMBL5947224 | 0.77 | KDM4E (0.61) | ROCK1KDM4EMEN1KMT2ASCN8A |
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 |