Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.37 |
| ▸ | GCGR | P47871 | 2/20 | 0.37 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28724777 | 0.88 | MAPT (0.41) | KMT2AMAPTKDM4EHTTALDH1A1 | |
| SCHEMBL28724773 | 0.88 | KIF11 (0.46) | KMT2AMAPTKDM4EALDH1A1HSD17B10 | |
| SCHEMBL28724765 | 0.88 | KIF11 (0.46) | DHODHMAPK14GCGRMAPK13ALOX5 | |
| SCHEMBL28724776 | 0.86 | GRM5 (0.44) | KMT2AMAPTKDM4EHTTALDH1A1 | |
| SCHEMBL28724775 | 0.86 | GRM5 (0.44) | KMT2AMAPTKDM4EALDH1A1GAA | |
| SCHEMBL28724767 | 0.86 | GAA (0.44) | KMT2AMAPTHTTALDH1A1GAA | |
| SCHEMBL28724772 | 0.84 | DHODH (0.43) | KMT2AMAPTKDM4EHTTALDH1A1 | |
| SCHEMBL28724967 | 0.82 | MAPT (0.47) | KMT2AMAPTKDM4EALDH1A1MEN1 | |
| SCHEMBL28724763 | 0.80 | ABCC8 (0.47) | KMT2AMAPTALDH1A1LMNADHODH | |
| SCHEMBL29483457 | 0.80 | IKBKB (0.43) | KMT2AKDM4EHTTALDH1A1GAA |
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 |