Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 3/20 | 0.43 |
| ▸ | P2RX3 | P56373 | 16/20 | 0.43 |
| ▸ | P2RX2 | Q9UBL9 | 16/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21091779 | 0.92 | NR1I2 (0.44) | NR1I2P2RX3P2RX2CYP2C9 | |
| SCHEMBL13092687 | 0.91 | NR1I2 (0.44) | NR1I2P2RX3P2RX2CYP2C9 | |
| SCHEMBL21091748 | 0.86 | P2RX3 (0.49) | NR1I2P2RX3P2RX2 | |
| SCHEMBL21092156 | 0.86 | P2RX3 (0.46) | NR1I2P2RX3P2RX2CYP2C9 | |
| SCHEMBL13092604 | 0.83 | NR1I2 (0.46) | NR1I2P2RX3P2RX2CYP2C9 | |
| SCHEMBL13092619 | 0.82 | NR1I2 (0.54) | NR1I2P2RX3P2RX2CYP2C9 | |
| SCHEMBL13092732 | 0.82 | P2RX3 (0.46) | NR1I2P2RX3P2RX2CYP2C9 | |
| SCHEMBL13092581 | 0.82 | P2RX3 (0.51) | NR1I2P2RX3P2RX2CYP2C9 | |
| SCHEMBL21092152 | 0.81 | P2RX3 (0.43) | NR1I2P2RX3P2RX2CYP2C9 | |
| SCHEMBL21091676 | 0.81 | P2RX3 (0.43) | NR1I2P2RX3P2RX2CYP2C9 |
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-2215049-B1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME (US) | 2019-06-12 | — | — | EP | disclosed |
| WO-2009058298-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK & CO., INC. (US) | 2009-05-07 | — | — | WO | disclosed |