Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28724743 | 0.86 | KMT2A (0.43) | GAALMNAHTTNCOA1SMN1; SMN2 | |
| SCHEMBL28724773 | 0.86 | KIF11 (0.46) | POLBSMN1; SMN2ALDH1A1ATMDHODH | |
| SCHEMBL28724777 | 0.86 | MAPT (0.41) | GAAPOLBLMNAHTTNCOA1 | |
| SCHEMBL28724765 | 0.86 | KIF11 (0.46) | DHODH | |
| SCHEMBL28724772 | 0.85 | DHODH (0.43) | POLBLMNAHTTNCOA1SMN1; SMN2 | |
| SCHEMBL28724776 | 0.85 | GRM5 (0.44) | GAAPOLBLMNAHTTALDH1A1 | |
| SCHEMBL28724775 | 0.85 | GRM5 (0.44) | GAASMN1; SMN2ALDH1A1GLAHPGD | |
| SCHEMBL28724967 | 0.84 | MAPT (0.47) | POLBALDH1A1GLAHPGDAR | |
| SCHEMBL28724771 | 0.78 | IKBKB (0.43) | GAALMNAHTTALDH1A1GLA | |
| SCHEMBL29483457 | 0.78 | IKBKB (0.43) | GAALMNAHTTALDH1A1GLA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114349703-B | Trifluoromethyl-4-cyano pyrazole compound, and preparation method and application thereof | 天津大学 | 2024-05-10 | — | — | CN | disclosed |
| CN-114349703-A | Trifluoromethyl-4-cyanopyrazole compound, and preparation method and application thereof | 天津大学 | 2022-04-15 | — | — | CN | disclosed |