Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | P2RX7 | Q99572 | 12/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5968915 | 0.85 | P2RX7 (0.39) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL5192274 | 0.81 | KEAP1 (0.49) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL5968658 | 0.81 | NPC1 (0.47) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL3568253 | 0.81 | P2RX7 (0.53) | P2RX7ALDH1A1 | |
| SCHEMBL3562274 | 0.81 | ALDH1A1 (0.48) | P2RX7ALDH1A1 | |
| SCHEMBL1653822 | 0.81 | MAP2K4 (0.43) | P2RX7HSD11B1 | |
| SCHEMBL4511617 | 0.80 | P2RX7 (0.41) | P2RX7HSD11B1ALDH1A1 | |
| SCHEMBL6925911 | 0.80 | F2 (0.47) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL5968616 | 0.80 | MPO (0.43) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL27669478 | 0.78 | GRM2 (0.43) | CARM1 |
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-1713774-A1 | NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN | AstraZeneca AB (SE) | 2006-10-25 | — | — | EP | disclosed |
| WO-2005075424-A1 | NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN | ASTRAZENECA AB (SE) | 2005-08-18 | — | — | WO | disclosed |