Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 6/20 | 0.45 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.36 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.36 |
| ▸ | WDR5 | P61964 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21091899 | 0.90 | KCNJ1 (0.39) | KCNJ1MAPTTP53P2RX3P2RX2 | |
| SCHEMBL21091668 | 0.89 | KCNJ1 (0.44) | KCNJ1THRBMAPTTP53P2RX3 | |
| SCHEMBL21091765 | 0.86 | P2RX3 (0.38) | THRBP2RX3P2RX2WDR5P2RX7 | |
| SCHEMBL21092165 | 0.85 | ELANE (0.41) | P2RX3P2RX2WDR5P2RX7 | |
| SCHEMBL13095442 | 0.83 | P2RX3 (0.44) | THRBP2RX3P2RX2GABRA5CYP2C9 | |
| SCHEMBL21091749 | 0.81 | NR1I2 (0.40) | KCNJ1MAPTP2RX3P2RX2GABRA5 | |
| SCHEMBL21092152 | 0.80 | P2RX3 (0.43) | KCNJ1MAPTTP53P2RX3P2RX2 | |
| SCHEMBL21091756 | 0.79 | GABRA5 (0.40) | KCNJ1MAPTP2RX3P2RX2GABRA5 | |
| SCHEMBL21091768 | 0.79 | AKR1C3 (0.43) | KCNJ1 | |
| SCHEMBL13095449 | 0.78 | P2RX3 (0.43) | THRBP2RX3P2RX2GABRA5CYP2C9 |
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 1 patent. 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 |