Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CASP1 | P29466 | 3/20 | 0.50 |
| ▸ | CASP7 | P55210 | 3/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | HBB | P68871 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 5/20 | 0.44 |
| ▸ | GLA | P06280 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | NQO2 | P16083 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27763980 | 0.93 | ALDH1A1 (0.44) | ALDH1A1HSD17B10CYP3A4CASP1CASP7 | |
| SCHEMBL10326065 | 0.93 | ALDH1A1 (0.48) | ALDH1A1HSD17B10CYP3A4CASP1CASP7 | |
| SCHEMBL30134418 | 0.91 | ALDH1A1 (0.46) | ALDH1A1HSD17B10CYP3A4CASP1CASP7 | |
| SCHEMBL3317872 | 0.85 | ALDH1A1 (0.43) | ALDH1A1HSD17B10CYP3A4CASP1CASP7 | |
| SCHEMBL28505194 | 0.85 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP3A4CASP1CASP7 | |
| SCHEMBL28390833 | 0.85 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP3A4CASP1CASP7 | |
| SCHEMBL28318733 | 0.83 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP3A4CASP1CASP7 | |
| SCHEMBL168352 | 0.80 | ALDH1A1 (0.48) | ALDH1A1HSD17B10CYP3A4CASP1CASP7 | |
| SCHEMBL29407363 | 0.80 | ALDH1A1 (0.48) | ALDH1A1HSD17B10CYP3A4CASP1CASP7 | |
| SCHEMBL4928668 | 0.80 | ALDH1A1 (0.39) | ALDH1A1HSD17B10CYP3A4CASP1CASP7 |
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-2020250700-A1 | POLYCYCLIC AROMATIC COMPOUND | 学校法人関西学院 | 2020-12-17 | — | — | WO | disclosed |