Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCP | P55072 | 2/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | AGER | Q15109 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | FPR2 | P25090 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 4/20 | 0.37 |
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 | 0.84 | KDM4E (0.48) | VCPADORA1ADORA3ADORA2AALDH1A1 | |
| SCHEMBL1735526 | 0.83 | SCN9A (0.49) | VCPADORA3ALDH1A1HPGDFPR2 | |
| SCHEMBL1733485 | 0.82 | VCP (0.49) | VCPLRRK2ADORA1ADORA3ADORA2A | |
| SCHEMBL1734652 | 0.73 | VCP (0.46) | VCPADORA1ADORA3ADORA2ACCNT1 | |
| SCHEMBL1734302 | 0.73 | MEN1 (0.51) | VCPALDH1A1HPGD | |
| SCHEMBL1735530 | 0.73 | ADORA1 (0.46) | VCPADORA1ADORA3ADORA2A | |
| SCHEMBL1735520 | 0.73 | KDM4E (0.56) | ADORA1ADORA3ADORA2AALDH1A1HPGD | |
| SCHEMBL1734497 | 0.72 | KDM4E (0.47) | VCPADORA1ADORA3ADORA2A | |
| SCHEMBL2816888 | 0.71 | HSP90AA1 (0.52) | ADORA1ADORA3ADORA2ACCNT1CDK9 | |
| SCHEMBL1734511 | 0.70 | KDM4E (0.66) | ADORA1ADORA3ADORA2ACCNT1CDK9 |
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 |