Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | CYP46A1 | Q9Y6A2 | 2/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28308750 | 0.85 | CYP2D6 (0.39) | CYP2D6CASP6CYP46A1CCNT1CCNA2 | |
| SCHEMBL27897863 | 0.83 | CYP2D6 (0.48) | CYP2D6CYP1A2ALDH1A1HSD17B10KDM4E | |
| SCHEMBL24352255 | 0.82 | CASP6 (0.41) | CYP2D6CYP1A2ALDH1A1HSD17B10KDM4E | |
| SCHEMBL7503631 | 0.82 | CASP6 (0.42) | CYP2D6CYP1A2CYP3A4CASP6CYP46A1 | |
| SCHEMBL28144739 | 0.82 | CASP6 (0.39) | CYP2D6CYP1A2ALDH1A1HSD17B10KDM4E | |
| SCHEMBL24312484 | 0.82 | DPP4 (0.46) | CYP2D6CYP1A2CASP6CYP46A1GSK3B | |
| SCHEMBL28144745 | 0.81 | ALOX5AP (0.40) | CYP2D6CYP1A2ALDH1A1HSD17B10KDM4E | |
| SCHEMBL17198826 | 0.81 | CCNT1 (0.40) | CYP2D6CYP1A2CYP3A4CYP2C19CASP6 | |
| Hydrochloric Acid SCHEMBL29473296 | 0.81 | DPP4 (0.44) | CYP2D6CYP1A2CASP6CYP46A1GSK3B | |
| SCHEMBL10601314 | 0.80 | MAPK9 (0.43) | CYP2D6CASP6CYP46A1CCNT1CCNA2 |
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-2022081758-A1 | BICYCLIC COMPOUNDS | ALIGOS THERAPEUTICS, INC. (US) | 2022-04-21 | — | — | WO | disclosed |