Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 9/20 | 0.46 |
| ▸ | VCP | P55072 | 11/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1734296 | 0.88 | KDM4E (0.48) | ADORA1VCPADORA2AADORA3ADORA2B | |
| SCHEMBL1735526 | 0.76 | SCN9A (0.49) | VCPADORA3ADORA2B | |
| SCHEMBL1733485 | 0.76 | VCP (0.49) | ADORA1VCPADORA2AADORA3ADORA2B | |
| SCHEMBL1735520 | 0.76 | KDM4E (0.56) | ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL1734498 | 0.73 | VCP (0.47) | ADORA1VCPADORA2AADORA3 | |
| SCHEMBL1734431 | 0.71 | KDM4E (0.51) | ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL1734460 | 0.71 | KDM4E (0.51) | VCP | |
| SCHEMBL1734181 | 0.70 | KDM4E (0.50) | ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL1734442 | 0.68 | ALDH1A1 (0.49) | VCP | |
| SCHEMBL1734520 | 0.68 | KDM4E (0.74) | ADORA1ADORA2AADORA3ADORA2B |
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-1891018-B1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2011-11-16 | — | — | EP | claimed |
| WO-2011131686-A1 | A THERMALLY CONTROLLED ASSEMBLY | NAPATECH A/S (DK) | 2011-10-27 | — | — | WO | claimed |