Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | ABL1 | P00519 | 5/20 | 0.48 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.47 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | CPT2 | P23786 | 1/20 | 0.45 |
| ▸ | CPT1A | P50416 | 1/20 | 0.45 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29699859 | 0.90 | CYP3A4 (0.60) | CYP3A4CYP2C9SMN1; SMN2TP53ABL1 | |
| SCHEMBL29699842 | 0.83 | CYP3A4 (0.65) | CYP3A4CYP2C9SMN1; SMN2TP53ABL1 | |
| SCHEMBL29699774 | 0.82 | CYP3A4 (0.59) | CYP3A4CYP2C9SMN1; SMN2TP53ABL1 | |
| SCHEMBL29699827 | 0.79 | MEN1 (0.73) | CYP3A4CYP2C9SMN1; SMN2TP53ABL1 | |
| SCHEMBL29699929 | 0.77 | CYP3A4 (0.76) | CYP3A4CYP2C9SMN1; SMN2TP53ABL1 | |
| SCHEMBL29699900 | 0.77 | CYP3A4 (0.81) | CYP3A4CYP2C9SMN1; SMN2TP53ABL1 | |
| SCHEMBL29700058 | 0.76 | CYP3A4 (0.83) | CYP3A4CYP2C9SMN1; SMN2TP53ABL1 | |
| SCHEMBL29699861 | 0.76 | CYP3A4 (1.00) | CYP3A4CYP2C9SMN1; SMN2TP53ABL1 | |
| SCHEMBL29699716 | 0.75 | CYP3A4 (0.76) | CYP3A4CYP2C9SMN1; SMN2TP53ABL1 | |
| SCHEMBL29699779 | 0.75 | MEN1 (0.64) | CYP3A4CYP2C9SMN1; SMN2TP53PTGER1 |
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 |