Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.33 |
| ▸ | SPIN1 | Q9Y657 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL182833 | 0.94 | DHFR (0.36) | DHFRPIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL182855 | 0.86 | PIK3CD (0.46) | PIK3CDPIK3CAPIK3CBPIK3CGMTOR | |
| SCHEMBL182571 | 0.82 | PIK3CD (0.45) | PIK3CDPIK3CAPIK3CBPIK3CGMTOR | |
| SCHEMBL1168498 | 0.76 | KDM4E (0.32) | L3MBTL1PDE4DKDM4EHSD17B10NPC1 | |
| SCHEMBL617799 | 0.75 | PDE4A (0.31) | L3MBTL1PDE4DNPC1 | |
| SCHEMBL182850 | 0.75 | DHFR (0.53) | DHFRPIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL3587025 | 0.74 | — | — | |
| SCHEMBL1168014 | 0.72 | NPC1 (0.32) | L3MBTL1KDM4EHSD17B10NPC1ALDH1A1 | |
| SCHEMBL617789 | 0.72 | PTGS2 (0.34) | HSP90AB1 | |
| SCHEMBL183022 | 0.70 | SQSTM1 (0.48) | DHFRPIK3CDPIK3CAPIK3CBPIK3CG |
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-2049502-B1 | 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS | NOVARTIS AG (CH) | 2012-01-04 | — | — | EP | claimed |
| EP-2049502-A1 | 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS | Novartis AG (CH) | 2009-04-22 | — | — | EP | claimed |
| WO-2008012326-A1 | 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS | NOVARTIS AG (CH) | 2008-01-31 | — | — | WO | claimed |
| EP-2049502-B1 | 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS | NOVARTIS AG (CH) | 2012-01-04 | — | — | EP | disclosed |