Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 2/20 | 0.62 |
| ▸ | FYN | P06241 | 7/20 | 0.49 |
| ▸ | CDK8 | P49336 | 1/20 | 0.49 |
| ▸ | LDHA | P00338 | 1/20 | 0.47 |
| ▸ | LDHB | P07195 | 1/20 | 0.47 |
| ▸ | PRKCI | P41743 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | HCK | P08631 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.43 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3461591 | 0.84 | ATR (0.53) | ATRFYNCDK8LDHALDHB | |
| SCHEMBL3459845 | 0.83 | ATR (0.58) | ATRFYNCDK8LDHALDHB | |
| SCHEMBL3459928 | 0.80 | ATR (0.53) | ATRFYNLDHALDHBPIK3CD | |
| SCHEMBL6826287 | 0.80 | LDHB (0.75) | ATRFYNCDK8LDHALDHB | |
| SCHEMBL3461588 | 0.80 | ATR (0.52) | ATRFYNCDK8LDHALDHB | |
| SCHEMBL3460917 | 0.79 | PIK3CD (0.67) | ATRPIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL3459686 | 0.78 | ATR (0.61) | ATRFYNCDK8PRKCI | |
| SCHEMBL3460646 | 0.78 | ATR (0.61) | ATRFYNCDK8LDHALDHB | |
| SCHEMBL18938536 | 0.77 | CSF1R (0.60) | ATRFYNCDK8LDHALDHB | |
| SCHEMBL3461107 | 0.77 | ATR (0.66) | ATRFYNLDHALDHB |
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-1501514-B1 | PROTEIN KINASE MODULATORS AND METHODS OF USE | EXELIXIS INC (US) | 2012-12-19 | — | — | EP | disclosed |
| US-7704995-B2 | Protein kinase modulators and methods of use | EXELIXIS, INC. (US) | 2010-04-27 | — | — | US | disclosed |