Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 11/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.44 |
| ▸ | GRK2 | P25098 | 2/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PRKCA | P17252 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
| ▸ | MPL | P40238 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27914087 | 0.87 | P2RX7 (0.49) | P2RX7ROCK2GRK2TRPV1CYP1A2 | |
| SCHEMBL27931812 | 0.83 | HSD17B13 (0.44) | P2RX7ROCK2ADORA2AADORA1EPHX2 | |
| SCHEMBL27913635 | 0.83 | KMT2A (0.56) | P2RX7ROCK2GRK2PRKCAEPHX2 | |
| SCHEMBL27913579 | 0.81 | P2RX7 (0.50) | P2RX7CYP1A2CYP2C19ADORA2AADORA1 | |
| Ammonia Solution, Strong SCHEMBL20302253 | 0.77 | KDM4E (0.56) | P2RX7 | |
| SCHEMBL27931730 | 0.76 | DDR1 (0.47) | P2RX7 | |
| SCHEMBL27913969 | 0.76 | MMP13 (0.53) | P2RX7CYP1A2CYP2C19 | |
| SCHEMBL13728204 | 0.75 | CYP2C9 (0.54) | P2RX7ROCK2CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL2716924 | 0.75 | P2RX7 (0.46) | P2RX7ADORA2AADORA1EPHX2 | |
| SCHEMBL3294867 | 0.75 | P2RX7 (0.57) | P2RX7EPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103249721-A | Arylamine Derivatives as TTX-S Blockers | RAQUALIA PHARMA INC | 2013-08-14 | — | — | CN | claimed |
| CN-103249721-A | Arylamine Derivatives as TTX-S Blockers | RAQUALIA PHARMA INC | 2013-08-14 | — | — | CN | disclosed |