Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 9/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.45 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL28247366 | 0.92 | EGFR (0.59) | EGFRALDH1A1CYP2A6PIK3CDPIK3CA | |
| SCHEMBL3196932 | 0.85 | EGFR (0.95) | EGFRALDH1A1PIK3CDPIK3CAPDGFRB | |
| Quinazoline SCHEMBL29902476 | 0.84 | EGFR (0.77) | EGFRALDH1A1PIK3CDPIK3CAPDGFRB | |
| Quinazoline SCHEMBL1337802 | 0.84 | EGFR (0.77) | EGFRALDH1A1PIK3CDPIK3CAPDGFRB | |
| Quinazoline SCHEMBL29490398 | 0.83 | EGFR (1.00) | EGFRALDH1A1CYP2A6PIK3CDPIK3CA | |
| Quinazoline SCHEMBL29356169 | 0.83 | EGFR (1.00) | EGFRALDH1A1CYP2A6PIK3CDPIK3CA | |
| Quinazoline SCHEMBL22833783 | 0.83 | EGFR (1.00) | EGFRALDH1A1CYP2A6PIK3CDPIK3CA | |
| Quinazoline SCHEMBL5920 | 0.83 | EGFR (1.00) | EGFRALDH1A1CYP2A6PIK3CDPIK3CA | |
| Quinazoline SCHEMBL27762358 | 0.83 | EGFR (0.69) | EGFRALDH1A1PIK3CDPIK3CAPDGFRB | |
| Quinazoline SCHEMBL27786386 | 0.81 | EGFR (0.87) | EGFRALDH1A1CYP2A6PIK3CDPIK3CA |
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 |
|---|---|---|---|---|---|---|---|
| CN-108699040-B | Modulators of CFTR and methods of use thereof | 加利福尼亚大学董事会 | 2021-08-10 | — | — | CN | disclosed |