Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CASP1 | P29466 | 3/20 | 0.43 |
| ▸ | CASP7 | P55210 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 12/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 12/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 12/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 12/20 | 0.41 |
| ▸ | PRKDC | P78527 | 11/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 11/20 | 0.38 |
| ▸ | ABL1 | P00519 | 10/20 | 0.38 |
| ▸ | EGFR | P00533 | 10/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5138031 | 0.88 | ALDH1A1 (0.41) | ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL400346 | 0.83 | PIK3CD (0.62) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL5138987 | 0.77 | CYP1A2 (0.39) | ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9 | |
| Carbamic Acid SCHEMBL19244757 | 0.77 | PIK3CD (0.58) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL5137414 | 0.76 | IGF1R (0.41) | ALDH1A1CYP1A2CYP3A4TSHRHPGD | |
| SCHEMBL867973 | 0.74 | PIK3CD (0.53) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL19244958 | 0.74 | KDR (0.55) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL399596 | 0.73 | PIK3CD (0.56) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL398132 | 0.73 | PIK3CD (0.51) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL397057 | 0.73 | PIK3CD (0.51) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC |
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-1740591-A1 | 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS | OSI Pharmaceuticals, Inc. (US) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005097800-A1 | 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS | OSI PHARMACEUTICALS, INC. (US) | 2005-10-20 | — | — | WO | disclosed |