Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | MAOA | P21397 | 7/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | GLA | P06280 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | CDC14B | O60729 | 1/20 | 0.41 |
| ▸ | CDC14A | Q9UNH5 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | SI | P14410 | 1/20 | 0.35 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3014429 | 0.81 | MAOA (0.40) | CYP3A4MAOAALDH1A1KDM4EHPGD | |
| SCHEMBL12449847 | 0.79 | MAOA (0.48) | CYP3A4MAOAALDH1A1KDM4EHPGD | |
| SCHEMBL9251624 | 0.79 | CYP3A4 (0.54) | CYP3A4MAOAALDH1A1HPGDHSD17B10 | |
| SCHEMBL4126697 | 0.76 | MAOA (0.48) | CYP3A4MAOAALDH1A1KDM4EHPGD | |
| SCHEMBL22210 | 0.74 | CYP3A4 (0.62) | CYP3A4MAOAALDH1A1KDM4EHPGD | |
| SCHEMBL29370250 | 0.74 | CYP3A4 (0.62) | CYP3A4MAOAALDH1A1KDM4EHPGD | |
| SCHEMBL21763556 | 0.73 | MAOA (0.47) | CYP3A4MAOAALDH1A1KDM4EHPGD | |
| SCHEMBL224067 | 0.72 | CYP3A4 (0.60) | CYP3A4MAOAALDH1A1HPGDHSD17B10 | |
| SCHEMBL13967985 | 0.71 | MAOA (0.39) | CYP3A4MAOAALDH1A1KDM4EHPGD | |
| Alpha-Naphthylisocyanate SCHEMBL29400034 | 0.71 | CYP1A2 (0.64) | CYP3A4MAOAALDH1A1HPGDHSD17B10 |
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-2020017610-A1 | PHOTOCHROMIC COMPOUND AND CURABLE COMPOSITION CONTAINING SAID PHOTOCHROMIC COMPOUND | 株式会社トクヤマ | 2020-01-23 | — | — | WO | disclosed |