Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 6/20 | 0.70 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.70 |
| ▸ | HTT | P42858 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.51 |
| ▸ | MTOR | P42345 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | GBA1 | P04062 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4446918 | 0.83 | PIK3CA (1.00) | PIK3CAPIK3CBMTOR | |
| SCHEMBL18997737 | 0.83 | METAP1 (0.67) | PIK3CAPIK3CBHTTLMNATDP1 | |
| SCHEMBL20665376 | 0.80 | PIK3CA (0.58) | PIK3CAPIK3CBHTTLMNATDP1 | |
| SCHEMBL3748887 | 0.79 | HTT (0.84) | PIK3CAHTTLMNATDP1GAA | |
| SCHEMBL22315026 | 0.79 | PIK3CA (0.74) | PIK3CAPIK3CBHTTLMNATDP1 | |
| SCHEMBL190563 | 0.78 | PIK3CA (0.58) | PIK3CAPIK3CBTDP1GAAALDH1A1 | |
| SCHEMBL13059941 | 0.78 | MAPK1 (0.76) | PIK3CAPIK3CBHTTLMNATDP1 | |
| SCHEMBL21054811 | 0.75 | PIK3CA (0.58) | PIK3CAPIK3CBHTTLMNATDP1 | |
| SCHEMBL258487 | 0.74 | PIK3CA (0.74) | PIK3CAHTTLMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL258434 | 0.73 | PIK3CA (1.00) | PIK3CAPIK3CBHTTLMNAGAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1277738-B1 | CONDENSED HETEROARYL DERIVATIVES | ASTELLAS PHARMA INC (JP) | 2011-03-30 | — | — | EP | claimed |
| CN-100345830-C | Condensed heteroaryl derivatives | YAMANOUCHI PHARMA CO LTD (JP) | 2007-10-31 | — | — | CN | claimed |
| CN-1629145-A | Condensed heteroaryl derivatives | YAMANOUCHI PHARMA CO LTD (JP) | 2005-06-22 | — | — | CN | claimed |
| EP-1277738-B1 | CONDENSED HETEROARYL DERIVATIVES | ASTELLAS PHARMA INC (JP) | 2011-03-30 | — | — | EP | disclosed |