Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY1 | P47900 | 11/20 | 0.66 |
| ▸ | P2RY2 | P41231 | 1/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.50 |
| ▸ | P2RY11 | Q96G91 | 2/20 | 0.49 |
| ▸ | NT5E | P21589 | 2/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL19503300 | 0.93 | P2RY1 (0.67) | P2RY1P2RY2ADORA1P2RY11NT5E | |
| SCHEMBL19503304 | 0.87 | P2RY1 (0.65) | P2RY1P2RY2ADORA3 | |
| SCHEMBL29317654 | 0.87 | P2RY1 (0.68) | P2RY1P2RY11 | |
| SCHEMBL19503939 | 0.85 | P2RY1 (0.61) | P2RY1P2RY2ADORA1P2RY11 | |
| SCHEMBL21257375 | 0.84 | P2RY1 (0.62) | P2RY1P2RY2ADORA1P2RY11NT5E | |
| SCHEMBL23125573 | 0.84 | ADORA3 (0.61) | P2RY1ADORA1ADORA3HSP90AA1HSP90B1 | |
| SCHEMBL19503357 | 0.84 | ADORA3 (0.61) | P2RY1ADORA1ADORA3HSP90AA1HSP90B1 | |
| SCHEMBL23125574 | 0.84 | ADORA3 (0.61) | P2RY1ADORA1ADORA3HSP90AA1HSP90B1 | |
| SCHEMBL19503299 | 0.81 | P2RY1 (0.69) | P2RY1P2RY2ADORA1NT5EADORA3 | |
| SCHEMBL21257386 | 0.81 | P2RY1 (0.70) | P2RY1P2RY2P2RY11 |
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-2049127-B1 | N-METHANOCARBA DERIVATIVES TO TREAT CARDIAC DISEASES | UNIV CONNECTICUT (US) | 2014-11-26 | — | — | EP | disclosed |