Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 9/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP5 | P51878 | 1/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | FPR1 | P21462 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13891713 | 0.86 | TACR1 (0.42) | TACR1GRIN1GRIN2BROCK2ROCK1 | |
| SCHEMBL13891760 | 0.86 | TACR1 (0.41) | TACR1GRIN1GRIN2BROCK2ROCK1 | |
| SCHEMBL13891737 | 0.84 | TACR1 (0.41) | TACR1GRIN1GRIN2BROCK2ROCK1 | |
| SCHEMBL6790261 | 0.76 | TACR1 (0.45) | TACR1GRIN1GRIN2BROCK2ROCK1 | |
| SCHEMBL13891714 | 0.75 | ADORA2A (0.40) | USP2 | |
| SCHEMBL5530963 | 0.74 | TACR1 (0.41) | TACR1ROCK2ROCK1ADRB2FPR1 | |
| SCHEMBL13891617 | 0.74 | SRC (0.39) | — | |
| SCHEMBL5231611 | 0.74 | TACR1 (0.39) | TACR1CYP2C19CYP1A2USP2CASP1 | |
| SCHEMBL5226634 | 0.73 | TACR1 (0.38) | TACR1CYP2C19CYP2D6CASP1CASP5 | |
| SCHEMBL6794955 | 0.73 | TACR1 (0.49) | TACR1GRIN1GRIN2BROCK2ROCK1 |
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 |