Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29134294 | 0.75 | CASP1 (0.35) | CASP1HSD17B10 | |
| SCHEMBL11091213 | 0.73 | ALDH1A1 (0.40) | ALDH1A1HSD17B10 | |
| SCHEMBL3140888 | 0.70 | TAAR1 (0.43) | CA1CA2CA9 | |
| SCHEMBL1141384 | 0.68 | CA1 (0.34) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL3129672 | 0.65 | MGLL (0.47) | CA1CA2CA9 | |
| SCHEMBL3134278 | 0.64 | APP (0.46) | — | |
| SCHEMBL9451781 | 0.64 | CA1 (0.32) | CA1CA2CA5ACA9CASP1 | |
| SCHEMBL31634536 | 0.63 | KMT2A (0.43) | ALDH1A1 | |
| SCHEMBL4203705 | 0.62 | CYP2D6 (0.44) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL11257478 | 0.62 | CYP2A6 (0.35) | CA1CA2CA5ACA9 |
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-117120429-A | KHK inhibitor | 吉利德科学公司 | 2023-11-24 | — | — | CN | disclosed |