Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | RGS4 | P49798 | 1/20 | 0.34 |
| ▸ | RGS8 | P57771 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 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 | |
|---|---|---|---|---|
| SCHEMBL4049290 | 0.89 | ADORA3 (0.40) | ADORA3ADORA1HPGDTSHRKMT2A | |
| SCHEMBL4047524 | 0.88 | P2RX7 (0.35) | ADORA3ADORA1P2RX7HPGDKDM4E | |
| SCHEMBL4047255 | 0.88 | ROCK2 (0.38) | ADORA3ADORA1P2RX7HPGDKDM4E | |
| SCHEMBL4003850 | 0.76 | ADORA3 (0.40) | ADORA3ADORA1HPGDALDH1A1ROCK2 | |
| SCHEMBL3998824 | 0.76 | ADORA3 (0.40) | ADORA3ADORA1HPGDALDH1A1ADORA2A | |
| SCHEMBL4056050 | 0.76 | KIF11 (0.38) | ADORA1ADORA2ABRD4 | |
| SCHEMBL4049201 | 0.75 | KIF11 (0.62) | HTT | |
| Hydrochloric Acid SCHEMBL4049488 | 0.74 | KIF11 (0.61) | HTT | |
| SCHEMBL4048843 | 0.74 | HPGD (0.43) | ADORA3ADORA1HPGDKDM4EMEN1 | |
| SCHEMBL4048842 | 0.74 | HPGD (0.43) | ADORA3ADORA1HPGDKDM4EMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009074677-A2 | PYRAZOLOTRIAZINES | 4SC AG (DE) | 2009-06-18 | — | — | WO | disclosed |
| EP-2070932-A1 | Pyrazolotriazines | 4SC AG (DE) | 2009-06-17 | — | — | EP | disclosed |