Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | ADK | P55263 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6002606 | 0.71 | ADRA2A (0.52) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL1719454 | 0.65 | NISCH (0.53) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL5886380 | 0.65 | NISCH (0.39) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL24575956 | 0.64 | CCR1 (0.42) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL206251 | 0.64 | HRH4 (0.33) | — | |
| SCHEMBL1288554 | 0.62 | NISCH (0.52) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL482165 | 0.62 | NISCH (0.64) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL722191 | 0.61 | NISCH (0.78) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL14663248 | 0.61 | NISCH (0.39) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL8540910 | 0.61 | NISCH (0.50) | NISCHMTORADKALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1082321-A1 | HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA | AstraZeneca AB (SE) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999057113-A1 | HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA | ASTRAZENECA AB (SE) | 1999-11-11 | — | — | WO | disclosed |