Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.52 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.52 |
| ▸ | CACNA1I | Q9P0X4 | 2/20 | 0.52 |
| ▸ | ABL1 | P00519 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15504901 | 0.85 | SMN1; SMN2 (0.52) | TP53ABL1SMN1; SMN2KCNH2CYP3A4 | |
| SCHEMBL29699842 | 0.83 | CYP3A4 (0.65) | TP53ABL1SMN1; SMN2KCNH2CYP3A4 | |
| SCHEMBL29699941 | 0.81 | TP53 (0.47) | TP53CACNA1GCACNA1HCACNA1IABL1 | |
| SCHEMBL29699853 | 0.80 | TP53 (0.50) | TP53CACNA1GCACNA1HCACNA1IABL1 | |
| SCHEMBL29699805 | 0.78 | CYP3A4 (0.58) | TP53CACNA1GCACNA1HCACNA1IABL1 | |
| SCHEMBL15504917 | 0.78 | MAPT (0.65) | TP53ABL1SMN1; SMN2KCNH2CYP2C9 | |
| SCHEMBL31598793 | 0.74 | CACNA1G (0.50) | CACNA1GCACNA1HCACNA1IHDAC1SCD | |
| SCHEMBL15504915 | 0.74 | ABL1 (0.47) | TP53ABL1SMN1; SMN2KCNH2CYP3A4 | |
| SCHEMBL15391824 | 0.74 | ABL1 (0.63) | TP53ABL1SMN1; SMN2KCNH2HTT | |
| SCHEMBL29700080 | 0.73 | PTGER1 (0.60) | CACNA1GCACNA1ISMN1; SMN2HTTKDM4E |
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 |