Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 16/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9905224 | 1.00 | P2RX7 (0.43) | P2RX7ROCK2ROCK1TRPV1 | |
| SCHEMBL18558586 | 0.92 | P2RX7 (0.45) | P2RX7ROCK2ROCK1TRPV1 | |
| SCHEMBL18558571 | 0.92 | P2RX7 (0.45) | P2RX7ROCK2ROCK1TRPV1 | |
| SCHEMBL18558668 | 0.90 | P2RX7 (0.47) | P2RX7ROCK2ROCK1TRPV1 | |
| SCHEMBL19041567 | 0.88 | P2RX7 (0.35) | P2RX7ROCK2ROCK1TRPV1 | |
| SCHEMBL17088577 | 0.88 | P2RX7 (0.46) | P2RX7ROCK2ROCK1 | |
| SCHEMBL18558144 | 0.87 | P2RX7 (0.45) | P2RX7ROCK2ROCK1TRPV1 | |
| SCHEMBL18557724 | 0.87 | ROCK2 (0.43) | P2RX7ROCK2ROCK1 | |
| SCHEMBL18558655 | 0.87 | HDAC3 (0.43) | P2RX7ROCK2ROCK1 | |
| SCHEMBL18558406 | 0.86 | HDAC3 (0.41) | P2RX7ROCK2ROCK1 |
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-2648511-A1 | PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF | Lycera Corporation (US) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012078874-A1 | PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF | LYCERA CORPORATION (US) | 2012-06-14 | — | — | WO | disclosed |