Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.33 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 2/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL276429 | 0.97 | — | — | |
| SCHEMBL3892080 | 0.94 | CA2 (0.34) | CA2CA1CACNA2D1CACNB3CACNA1C | |
| SCHEMBL18532731 | 0.87 | CACNA2D1 (0.43) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL5955330 | 0.84 | — | — | |
| SCHEMBL8160608 | 0.84 | — | — | |
| SCHEMBL8012322 | 0.82 | — | — | |
| SCHEMBL7895720 | 0.82 | CA2 (0.40) | CA2CA1ADRA1AALDH1A1CYP3A4 | |
| SCHEMBL10236482 | 0.80 | CA2 (0.35) | CA2CA1ALDH1A1 | |
| SCHEMBL13855467 | 0.80 | CACNA2D1 (0.47) | CA2CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL8012345 | 0.80 | CA1 (0.30) | CA2CA1 |
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-110183433-B | Pyrazole compound and preparation method and application thereof | 华东理工大学 | 2021-06-04 | — | — | CN | disclosed |