Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 4/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 4/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.42 |
| ▸ | KIT | P10721 | 2/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16113563 | 0.92 | GBA1 (0.45) | AURKARPS6KB1AURKBCYP3A4ALDH1A1 | |
| SCHEMBL16112974 | 0.90 | CYP3A4 (0.42) | AURKARPS6KB1AURKBCYP3A4ALDH1A1 | |
| SCHEMBL16113283 | 0.90 | SCN9A (0.44) | AURKARPS6KB1AURKBCYP3A4ALDH1A1 | |
| SCHEMBL16142215 | 0.89 | HPGD (0.44) | AURKARPS6KB1AURKBCYP3A4ALDH1A1 | |
| SCHEMBL16112357 | 0.88 | ALDH1A1 (0.47) | AURKARPS6KB1AURKBCYP3A4ALDH1A1 | |
| SCHEMBL16112190 | 0.87 | AURKA (0.39) | AURKARPS6KB1AURKBCYP3A4ALDH1A1 | |
| SCHEMBL16142214 | 0.87 | LMNA (0.45) | AURKARPS6KB1AURKBCYP3A4ALDH1A1 | |
| SCHEMBL16113278 | 0.87 | CYP1A2 (0.46) | AURKARPS6KB1AURKBCYP3A4ALDH1A1 | |
| SCHEMBL16142216 | 0.86 | ALDH1A1 (0.48) | AURKARPS6KB1CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL16112985 | 0.85 | ALDH1A1 (0.38) | AURKARPS6KB1AURKBCYP3A4ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014160177-A2 | QUINAZOLINE INHIBITORS OF PI3K | EXELIXIS, INC. (US) | 2014-10-02 | — | — | WO | claimed |
| WO-2014160177-A2 | QUINAZOLINE INHIBITORS OF PI3K | EXELIXIS, INC. (US) | 2014-10-02 | — | — | WO | disclosed |