Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Quinazoline SCHEMBL28634018 | 0.92 | EGFR (0.69) | EGFRALDH1A1PIK3CDPIK3CACYP2A6 | |
| Quinoline SCHEMBL28210017 | 0.87 | ALDH1A1 (0.65) | ALDH1A1CYP2A6PDGFRBPDGFRANPC1 | |
| Quinoline SCHEMBL156755 | 0.86 | EGFR (0.80) | EGFRALDH1A1PIK3CDPIK3CACYP2A6 | |
| Quinoline SCHEMBL27710462 | 0.84 | EGFR (0.71) | EGFRALDH1A1PIK3CDPIK3CACYP2A6 | |
| Quinoline SCHEMBL27927382 | 0.84 | EGFR (0.77) | EGFRALDH1A1PIK3CDPIK3CACYP2A6 | |
| Naphthalene SCHEMBL7849032 | 0.84 | EGFR (0.77) | EGFRALDH1A1PIK3CDPIK3CACYP2A6 | |
| SCHEMBL3196932 | 0.79 | EGFR (0.95) | EGFRALDH1A1PIK3CDPIK3CAPDGFRB | |
| Isoquinoline SCHEMBL27889185 | 0.78 | EGFR (0.67) | EGFRALDH1A1PIK3CDPIK3CACYP2A6 | |
| Quinazoline SCHEMBL29902476 | 0.77 | EGFR (0.77) | EGFRALDH1A1PIK3CDPIK3CAPDGFRB | |
| Quinazoline SCHEMBL1337802 | 0.77 | EGFR (0.77) | EGFRALDH1A1PIK3CDPIK3CAPDGFRB |
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-A | CFTR conditioning agents and its application method | 加利福尼亚大学董事会 | 2018-10-23 | — | — | CN | disclosed |