Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VNN1 | O95497 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 3/20 | 0.37 |
| ▸ | GHSR | Q92847 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 2/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | KIT | P10721 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16112985 | 0.93 | ALDH1A1 (0.38) | ALDH1A1MEN1LMNACYP1A2CYP3A4 | |
| SCHEMBL16112610 | 0.93 | ALDH1A1 (0.38) | ALDH1A1MEN1LMNACYP1A2CYP3A4 | |
| SCHEMBL16142217 | 0.91 | MAP4K4 (0.43) | ALDH1A1MEN1LMNACYP1A2CYP3A4 | |
| SCHEMBL16112190 | 0.90 | AURKA (0.39) | ALDH1A1MEN1LMNACYP1A2CYP3A4 | |
| SCHEMBL16142215 | 0.89 | HPGD (0.44) | ALDH1A1MEN1LMNACYP1A2CYP3A4 | |
| SCHEMBL16112357 | 0.88 | ALDH1A1 (0.47) | ALDH1A1MEN1LMNACYP1A2CYP3A4 | |
| SCHEMBL16142214 | 0.87 | LMNA (0.45) | ALDH1A1MEN1LMNACYP1A2CYP3A4 | |
| SCHEMBL16113563 | 0.86 | GBA1 (0.45) | ALDH1A1MEN1LMNACYP1A2CYP3A4 | |
| SCHEMBL16112172 | 0.85 | AURKA (0.46) | ALDH1A1MEN1LMNACYP1A2CYP3A4 | |
| SCHEMBL16113283 | 0.84 | SCN9A (0.44) | ALDH1A1MEN1LMNACYP1A2CYP3A4 |
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-2014160177-A2 | QUINAZOLINE INHIBITORS OF PI3K | EXELIXIS, INC. (US) | 2014-10-02 | — | — | WO | disclosed |