Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.69 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | MALT1 | Q9UDY8 | 12/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30147318 | 0.86 | MAPK14 (0.52) | ALDH1A1KDM4EMAPK14MAPTPOLB | |
| SCHEMBL2296326 | 0.84 | MAPT (0.68) | ALDH1A1KDM4EMAPK14MAPTPOLB | |
| SCHEMBL28705337 | 0.82 | ALDH1A1 (1.00) | ALDH1A1KDM4EMAPK14MAPTPOLB | |
| SCHEMBL21605113 | 0.81 | HPGD (0.62) | ALDH1A1KDM4EMAPTPOLBSMN1; SMN2 | |
| SCHEMBL23657854 | 0.80 | MAPT (0.47) | ALDH1A1KDM4EMAPTPOLBSMN1; SMN2 | |
| SCHEMBL28700535 | 0.80 | ALDH1A1 (0.76) | ALDH1A1KDM4EMAPTPOLBSMN1; SMN2 | |
| SCHEMBL31404723 | 0.78 | MALT1 (0.76) | MALT1 | |
| SCHEMBL23611816 | 0.78 | MALT1 (0.76) | MALT1 | |
| SCHEMBL26125140 | 0.77 | MAPK14 (0.45) | ALDH1A1KDM4EMAPK14MAPTPOLB | |
| SCHEMBL26124267 | 0.76 | MAPK14 (0.45) | ALDH1A1KDM4EMAPK14MAPTPOLB |
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-114044754-A | Preparation method of 5-trifluoromethyl-4-pyrazole derivatives and application thereof in inhibiting tumor cells | 贵州大学 | 2022-02-15 | — | — | CN | disclosed |