Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | P2RY1 | P47900 | 3/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.34 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.34 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | P2RY2 | P41231 | 1/20 | 0.33 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL5175228 | 0.81 | ALDH1A1 (0.58) | ALDH1A1MEN1POLBKMT2AKDM4E | |
| SCHEMBL12680868 | 0.79 | P2RX3 (0.52) | ALDH1A1SLC6A2P2RY1P2RX3P2RX2 | |
| SCHEMBL5175471 | 0.75 | ALDH1A1 (0.40) | CYP1A2CYP2C9CYP2C19ALDH1A1SLC6A2 | |
| SCHEMBL5175478 | 0.73 | CYP1A2 (0.38) | CYP1A2CYP2C9CYP2C19ALDH1A1SLC6A2 | |
| SCHEMBL27533292 | 0.72 | HTT (0.48) | CYP1A2CYP2C9CYP2C19ALDH1A1NISCH | |
| SCHEMBL3257799 | 0.72 | P2RY1 (0.45) | CYP1A2CYP2C9CYP2C19ALDH1A1P2RY1 | |
| SCHEMBL1936652 | 0.70 | CYP1A2 (0.43) | CYP1A2CYP2C9CYP2C19ALDH1A1PDE5A | |
| SCHEMBL9482190 | 0.70 | ALDH1A1 (0.44) | CYP1A2CYP2C9CYP2C19ALDH1A1SLC6A2 | |
| SCHEMBL1340918 | 0.68 | ALDH1A1 (0.53) | CYP1A2CYP2C19ALDH1A1SLC6A2MEN1 | |
| SCHEMBL29977462 | 0.67 | ALDH1A1 (0.50) | ALDH1A1SLC6A2SLC6A4L3MBTL1 |
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-1751113-A1 | UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS | Bristol-Myers Squibb Pharma Company (US) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005113511-A1 | UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-12-01 | — | — | WO | disclosed |