Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL23965975 | 0.86 | PIK3CB (0.40) | CYP1A2CYP3A4CYP2D6CYP2C19HPGD | |
| SCHEMBL23966069 | 0.81 | ALDH1A1 (0.46) | HPGDALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL23966144 | 0.78 | PLAU (0.36) | CYP1A2CYP3A4HPGDALDH1A1GAA | |
| SCHEMBL24211056 | 0.78 | PIK3CB (0.41) | CYP1A2CYP3A4CYP2D6CYP2C19HPGD | |
| SCHEMBL23966071 | 0.76 | ALDH1A1 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C19HPGD | |
| SCHEMBL24211133 | 0.76 | PIK3CB (0.40) | CYP1A2CYP3A4CYP2D6CYP2C19HPGD | |
| SCHEMBL22183752 | 0.71 | PIK3CB (0.39) | KMT2APIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL23966102 | 0.70 | PIK3CB (0.48) | HPGDALDH1A1SMN1; SMN2RAB9APIK3CD | |
| SCHEMBL23965930 | 0.70 | HRH3 (0.44) | ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL22183756 | 0.69 | PIK3CB (0.41) | KMT2APIK3CDPIK3CAPIK3CBPIK3CG |
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 |
|---|---|---|---|---|---|---|---|
| EP-3904343-A1 | AMINO QUINAZOLINONE, AMINO ISOQUINOLONE DERIVATIVES AND APPLICATION THEREOF | Zhejiang University (CN) | 2021-11-03 | — | — | EP | disclosed |