Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.32 |
| ▸ | CDK2 | P24941 | 4/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24092058 | 0.92 | CCNE1 (0.39) | CCR2KCNH2GAANPC1MAPK1 | |
| SCHEMBL15448539 | 0.91 | IDO1 (0.36) | CCR2KCNH2MAPK1TMIGD3ADORA1 | |
| SCHEMBL3356187 | 0.78 | POLB (0.36) | CCNE1CDK2CDK5CDK5R1ALDH1A1 | |
| SCHEMBL16268178 | 0.74 | CCNE1 (0.33) | CCNE1CDK2CDK5CDK5R1 | |
| SCHEMBL5764220 | 0.70 | EP300 (0.41) | GAAALDH1A1 | |
| SCHEMBL127877 | 0.70 | — | — | |
| SCHEMBL2822381 | 0.70 | — | — | |
| SCHEMBL5154688 | 0.68 | — | — | |
| SCHEMBL12151405 | 0.68 | — | — | |
| SCHEMBL342315 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016019233-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | PHARMACYCLICS LLC (US) | 2016-02-04 | — | — | WO | disclosed |