Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | ABL1 | P00519 | 4/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.42 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.42 |
| ▸ | CACNA1I | Q9P0X4 | 2/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29699910 | 0.87 | CYP3A4 (0.76) | CYP3A4CYP2C9ABL1KCNH2TP53 | |
| SCHEMBL29700054 | 0.79 | CYP3A4 (0.64) | CYP3A4CYP2C9ABL1KCNH2TP53 | |
| SCHEMBL29699885 | 0.78 | TP53 (0.52) | CYP3A4CYP2C9ABL1KCNH2TP53 | |
| SCHEMBL29699716 | 0.76 | CYP3A4 (0.76) | CYP3A4CYP2C9ABL1KCNH2TP53 | |
| SCHEMBL15504898 | 0.75 | CYP3A4 (0.65) | CYP3A4CYP2C9ABL1KCNH2TP53 | |
| SCHEMBL29699900 | 0.74 | CYP3A4 (0.81) | CYP3A4CYP2C9ABL1KCNH2TP53 | |
| SCHEMBL29699861 | 0.73 | CYP3A4 (1.00) | CYP3A4CYP2C9ABL1KCNH2TP53 | |
| SCHEMBL29699929 | 0.73 | CYP3A4 (0.76) | CYP3A4CYP2C9ABL1KCNH2TP53 | |
| SCHEMBL29700058 | 0.72 | CYP3A4 (0.83) | CYP3A4CYP2C9ABL1KCNH2TP53 | |
| Trifluoroacetic Acid SCHEMBL15514696 | 0.72 | CYP3A4 (0.62) | CYP3A4CYP2C9ABL1KCNH2TP53 |
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-114685371-A | Pyrazole carboxamide derivatives, their preparation and use | 四川大学 | 2022-07-01 | — | — | CN | claimed |
| CN-114685371-A | Pyrazole carboxamide derivatives, their preparation and use | 四川大学 | 2022-07-01 | — | — | CN | disclosed |