Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.46 |
| ▸ | IKBKB | O14920 | 1/20 | 0.45 |
| ▸ | CHUK | O15111 | 1/20 | 0.45 |
| ▸ | RPS6KA3 | P51812 | 3/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.43 |
| ▸ | CTSA | P10619 | 2/20 | 0.43 |
| ▸ | CDC7 | O00311 | 2/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | PRKACA | P17612 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 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 | |
|---|---|---|---|---|
| SCHEMBL22467556 | 0.81 | HTR7 (0.49) | CYP2A6LOXL2IKBKBCHUKRPS6KA3 | |
| SCHEMBL5990056 | 0.78 | HTR7 (0.51) | LOXL2TAAR1 | |
| SCHEMBL7396230 | 0.76 | TAAR1 (0.51) | LOXL2TAAR1CDK8 | |
| SCHEMBL13036041 | 0.76 | RPS6KA3 (0.67) | RPS6KA3ROCK2CTSACDC7MAP4K4 | |
| SCHEMBL3780918 | 0.75 | CYP2A6 (0.73) | CYP2A6LOXL2ATRCDK8 | |
| SCHEMBL29809603 | 0.75 | CYP2A6 (0.73) | CYP2A6LOXL2ATRCDK8 | |
| SCHEMBL301749 | 0.74 | PRKCI (0.67) | CYP2A6LOXL2TAAR1CDK8 | |
| SCHEMBL16404620 | 0.74 | RPS6KA3 (0.59) | CYP2A6LOXL2RPS6KA3ROCK2CTSA | |
| Hydrochloric Acid SCHEMBL970902 | 0.73 | PRKCI (0.65) | CYP2A6LOXL2TAAR1CDK8 | |
| Hydrochloric Acid SCHEMBL972408 | 0.73 | PRKCI (0.65) | CYP2A6LOXL2TAAR1CDK8 |
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-102770425-A | Indolyl-piperidinylbenzylamines as beta-tryptase inhibitors | SANOFI SA | 2012-11-07 | — | — | CN | disclosed |