Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 6/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12811957 | 0.83 | PIK3CA (0.43) | PIK3CAHCAR2PTPN11CNR1NPC1 | |
| SCHEMBL12811794 | 0.79 | PTPN11 (0.42) | PIK3CAPTPN11CNR1CNR2NPC1 | |
| SCHEMBL1441972 | 0.79 | HRH3 (0.47) | PIK3CAHCAR2PTPN11ALDH1A1MAPT | |
| SCHEMBL12812410 | 0.78 | PIK3CA (0.44) | PIK3CAHCAR2NPC1RAB9AALDH1A1 | |
| SCHEMBL1442797 | 0.78 | HPGD (0.50) | PIK3CAHCAR2PTPN11CNR1CNR2 | |
| SCHEMBL1441751 | 0.77 | PIK3CA (0.51) | PIK3CAPTPN11MET | |
| SCHEMBL12812419 | 0.76 | PIK3CA (0.45) | PIK3CAHCAR2NPC1RAB9AALDH1A1 | |
| SCHEMBL12812034 | 0.76 | PIK3CA (0.43) | PIK3CAPTPN11CNR1CNR2NPC1 | |
| SCHEMBL1442436 | 0.75 | KDM4E (0.48) | PIK3CAPTPN11CNR2NPC1RAB9A | |
| SCHEMBL1442356 | 0.75 | MAPT (0.52) | PIK3CAPTPN11NPC1RAB9AALDH1A1 |
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-2011026579-A1 | SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-03-10 | — | — | WO | disclosed |