Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 13/20 | 0.40 |
| ▸ | RAF1 | P04049 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | FPR1 | P21462 | 1/20 | 0.36 |
| ▸ | GPR183 | P32249 | 1/20 | 0.36 |
| ▸ | APLNR | P35414 | 1/20 | 0.36 |
| ▸ | GLP1R | P43220 | 1/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5232800 | 0.86 | TACR1 (0.38) | TACR1RAF1BRAFADRB2FPR1 | |
| SCHEMBL13891719 | 0.85 | TACR1 (0.48) | TACR1BRAFROCK2ROCK1 | |
| SCHEMBL13891760 | 0.85 | TACR1 (0.41) | TACR1ROCK2ROCK1ADRB2FPR1 | |
| SCHEMBL29373661 | 0.84 | TACR1 (0.44) | TACR1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL6508415 | 0.84 | TACR1 (0.44) | TACR1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL13891688 | 0.83 | TACR1 (0.41) | TACR1 | |
| SCHEMBL13891620 | 0.82 | TACR1 (0.43) | TACR1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL15680049 | 0.80 | TACR1 (0.41) | TACR1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL13891621 | 0.80 | TACR1 (0.38) | TACR1 | |
| SCHEMBL13891689 | 0.80 | TACR1 (0.35) | TACR1ROCK2ROCK1ADRB2FPR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1473295-B1 | FUSED BICYCLIC PYRIMIDINE DERIVATIVES | KYORIN SEIYAKU KK (JP) | 2009-04-01 | — | — | EP | disclosed |