Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 3/20 | 0.40 |
| ▸ | EGFR | P00533 | 10/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | INSR | P06213 | 1/20 | 0.37 |
| ▸ | FBP1 | P09467 | 1/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | FLT4 | P35916 | 1/20 | 0.37 |
| ▸ | CLK1 | P49759 | 1/20 | 0.37 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.37 |
| ▸ | TEK | Q02763 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | CSF1R | P07333 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | KIT | P10721 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL691612 | 0.84 | KDR (0.38) | KDREGFRAURKAERBB2INSR | |
| SCHEMBL690517 | 0.75 | MAPK1 (0.36) | EGFRAURKAGRM1 | |
| SCHEMBL690859 | 0.75 | EGFR (0.37) | KDREGFRERBB2ALDH1A1CYP3A4 | |
| SCHEMBL690928 | 0.72 | CYP3A4 (0.36) | EGFRALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL28056977 | 0.71 | EGFR (0.55) | KDREGFRAURKAERBB2INSR | |
| SCHEMBL25142 | 0.68 | EGFR (0.51) | KDREGFRAURKAERBB2INSR | |
| SCHEMBL654423 | 0.65 | MAPK1 (0.42) | EPHB4ALDH1A1 | |
| SCHEMBL14495631 | 0.64 | ALDH1A1 (0.53) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL15877055 | 0.63 | KIT (0.67) | KDREGFRAURKAERBB2INSR | |
| SCHEMBL4805640 | 0.62 | ADORA2A (0.46) | ALDH1A1 |
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-101902911-B | Heteroaryl compounds and uses thereof | AVILA THERAPEUTICS, INC. (US) | 2015-12-16 | — | — | CN | disclosed |