Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | HPGD | P15428 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.54 |
| ▸ | RELA | Q04206 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 2/20 | 0.54 |
| ▸ | MAOB | P27338 | 2/20 | 0.54 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL28469105 | 0.85 | ALDH1A1 (0.67) | EGFRCYP3A4ALDH1A1MAPTHPGD | |
| SCHEMBL16410070 | 0.85 | EGFR (0.67) | EGFRCYP3A4ALDH1A1MAPTHPGD | |
| SCHEMBL12777223 | 0.80 | EGFR (0.66) | EGFRCYP3A4ALDH1A1MAPTHPGD | |
| Irisolidone SCHEMBL1974327 | 0.79 | EGFR (0.84) | EGFRCYP3A4ALDH1A1MAPTHPGD | |
| Irisolidone SCHEMBL30997344 | 0.79 | EGFR (0.84) | EGFRCYP3A4ALDH1A1MAPTHPGD | |
| SCHEMBL12777138 | 0.79 | EGFR (0.71) | EGFRCYP3A4ALDH1A1MAPTHPGD | |
| SCHEMBL14070593 | 0.79 | NPC1 (0.82) | EGFRCYP3A4ALDH1A1MAPTHPGD | |
| SCHEMBL12777146 | 0.77 | EGFR (0.68) | EGFRCYP3A4ALDH1A1MAPTHPGD | |
| SCHEMBL21206266 | 0.77 | MAPT (0.61) | EGFRCYP3A4ALDH1A1MAPTHPGD | |
| SCHEMBL30376242 | 0.77 | MAPT (0.61) | EGFRCYP3A4ALDH1A1MAPTHPGD |
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-107216243-B | Chalcone analogue and preparation method and application thereof | 四川省中医药科学院 | 2020-08-28 | — | — | CN | disclosed |