Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5AP | P20292 | 2/20 | 0.40 |
| ▸ | FEN1 | P39748 | 1/20 | 0.40 |
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 2/20 | 0.35 |
| ▸ | CYP46A1 | Q9Y6A2 | 2/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 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 | |
|---|---|---|---|---|
| SCHEMBL24312483 | 0.81 | CYP2D6 (0.43) | CASP6CYP2D6CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL7503631 | 0.78 | CASP6 (0.42) | CASP6CYP2D6CYP1A2CYP3A4EGFR | |
| SCHEMBL28144739 | 0.78 | CASP6 (0.39) | CASP6CYP2D6CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL24312484 | 0.78 | DPP4 (0.46) | CASP6CYP2D6CYP1A2EGFRCYP46A1 | |
| Hydrochloric Acid SCHEMBL29473296 | 0.77 | DPP4 (0.44) | CASP6CYP2D6CYP1A2EGFRCYP46A1 | |
| SCHEMBL10601314 | 0.76 | MAPK9 (0.43) | CASP6CYP2D6EGFRCYP46A1MAPK9 | |
| SCHEMBL27897863 | 0.76 | CYP2D6 (0.48) | CASP6CYP2D6CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL28172764 | 0.75 | CYP46A1 (0.43) | CASP6CYP2D6ALDH1A1HSD17B10CYP46A1 | |
| SCHEMBL24352255 | 0.75 | CASP6 (0.41) | CASP6CYP2D6CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL27997671 | 0.75 | RAB9A (0.44) | CASP6ALDH1A1HSD17B10KDM4EMAPT |
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-106794161-A | TrkA kinase inhibitors, composition and its method | 默沙东公司 | 2017-05-31 | — | — | CN | disclosed |