Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 9/20 | 0.50 |
| ▸ | BIRC2 | Q13490 | 6/20 | 0.50 |
| ▸ | VNN1 | O95497 | 4/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22810702 | 0.87 | XIAP (0.44) | XIAPBIRC2VNN1PIK3CAALOX15 | |
| SCHEMBL13733738 | 0.86 | XIAP (0.45) | XIAPBIRC2VNN1PIK3CAALOX5 | |
| SCHEMBL27929900 | 0.80 | ELANE (0.40) | XIAPBIRC2VNN1PIK3CAALOX15 | |
| SCHEMBL13733459 | 0.77 | XIAP (0.39) | XIAPBIRC2 | |
| SCHEMBL13736703 | 0.76 | XIAP (0.54) | XIAPBIRC2 | |
| SCHEMBL13735158 | 0.75 | XIAP (0.58) | XIAPBIRC2NOTUM | |
| SCHEMBL31725766 | 0.73 | NOTUM (0.44) | NOTUMALDH1A1TDP1 | |
| SCHEMBL13731600 | 0.72 | KMT2A (0.40) | XIAPBIRC2VNN1ALOX15HTT | |
| SCHEMBL22798072 | 0.68 | XIAP (0.58) | XIAPBIRC2NOTUM | |
| SCHEMBL25398418 | 0.66 | NOTUM (0.31) | NOTUM |
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-2699562-A1 | BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY | Astex Therapeutics Limited (GB) | 2014-02-26 | — | — | EP | disclosed |
| WO-2012143726-A1 | BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY | ASTEX THERAPEUTICS LIMITED (GB) | 2012-10-26 | — | — | WO | disclosed |