Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 4/20 | 0.48 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.43 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.41 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29781295 | 0.88 | PIK3CD (0.49) | PIK3CDIRAK4ALDH1A1NPC1MAPT | |
| SCHEMBL30126593 | 0.82 | PIK3CD (0.44) | PIK3CDIRAK4PIK3CAPIK3CBPIK3CG | |
| SCHEMBL24037920 | 0.82 | EHMT2 (0.52) | PIK3CDPIK3CAEHMT2PIK3CBPIK3CG | |
| SCHEMBL29781271 | 0.81 | EGFR (0.53) | ERBB2EGFR | |
| SCHEMBL30127016 | 0.77 | USP30 (0.45) | PIK3CDIRAK4PIK3CAPIK3CBPIK3CG | |
| SCHEMBL30127280 | 0.76 | PDE4B (0.52) | PIK3CDIRAK4MAPTPIK3CAPIK3CB | |
| SCHEMBL30125994 | 0.76 | PDE4B (0.47) | PIK3CDIRAK4PIK3CAPIK3CBPIK3CG | |
| SCHEMBL29783519 | 0.75 | ALDH1A1 (0.48) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL28474913 | 0.75 | BTK (0.46) | PIK3CDIRAK4ALDH1A1NPC1MAPT | |
| SCHEMBL27222158 | 0.75 | ALDH1A1 (0.48) | ALDH1A1NPC1MAPTMAPK1HTT |
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-2022170052-A1 | QUINAZOLINE DERIVATIVES, PYRIDOPYRIMIDINE DERIVATIVES, PYRIMIDOPYRIMIDINE DERIVATIVES, AND USES THEREOF | BLACK DIAMOND THERAPEUTICS, INC. (US) | 2022-08-11 | — | — | WO | disclosed |