Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ABL1 | P00519 | 9/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.43 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.43 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.43 |
| ▸ | FPR2 | P25090 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29699941 | 0.85 | TP53 (0.47) | TP53SMN1; SMN2ABL1KCNH2EPHX2 | |
| SCHEMBL29699885 | 0.80 | TP53 (0.52) | TP53SMN1; SMN2ABL1KCNH2EPHX2 | |
| SCHEMBL29699842 | 0.75 | CYP3A4 (0.65) | TP53SMN1; SMN2ABL1KCNH2ALDH1A1 | |
| SCHEMBL15504901 | 0.75 | SMN1; SMN2 (0.52) | TP53SMN1; SMN2ABL1KCNH2ALDH1A1 | |
| SCHEMBL953675 | 0.74 | AKR1C3 (0.48) | SMN1; SMN2CACNA1GCACNA1HCACNA1IGAA | |
| SCHEMBL15504917 | 0.72 | MAPT (0.65) | TP53SMN1; SMN2ABL1KCNH2EPHX2 | |
| SCHEMBL15504915 | 0.70 | ABL1 (0.47) | TP53SMN1; SMN2ABL1KCNH2EPHX2 | |
| SCHEMBL15391824 | 0.70 | ABL1 (0.63) | TP53SMN1; SMN2ABL1KCNH2EPHX2 | |
| SCHEMBL3400748 | 0.69 | ABL1 (0.73) | ABL1 | |
| SCHEMBL18696282 | 0.68 | ABL1 (0.36) | TP53SMN1; SMN2ABL1KCNH2EPHX2 |
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-114685371-A | Pyrazole carboxamide derivatives, their preparation and use | 四川大学 | 2022-07-01 | — | — | CN | disclosed |