Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | CCKAR | P32238 | 2/20 | 0.46 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.45 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.45 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.45 |
| ▸ | CACNG3 | O60359 | 1/20 | 0.45 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.45 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.45 |
| ▸ | CACNB3 | P54284 | 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 | |
|---|---|---|---|---|
| SCHEMBL15569210 | 0.81 | CACNB4 (0.66) | CACNB4CACNA1ACACNA1GCACNG3CACNA1F | |
| SCHEMBL5147723 | 0.78 | PTGS2 (0.58) | PTGS2PTGS1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL5150244 | 0.75 | PTGS2 (0.58) | PTGS2PTGS1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL5148747 | 0.74 | PTGS2 (0.53) | PTGS2PTGS1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7876680 | 0.71 | PTGS2 (0.51) | PTGS2PTGS1NPSR1MAPTSMN1; SMN2 | |
| SCHEMBL3430532 | 0.71 | SLC16A3 (0.62) | CCKARSLC16A3SLC16A1MCTS1PPP1CA | |
| SCHEMBL4873320 | 0.71 | MAPK1 (0.43) | PTGS2SMN1; SMN2POLBMEN1KMT2A | |
| SCHEMBL5148678 | 0.70 | PTGS2 (0.44) | PTGS2PTGS1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL451684 | 0.69 | STS (0.47) | PTGS2PTGS1CYP3A4 | |
| SCHEMBL6053761 | 0.69 | PPP1CA (0.67) | CCKARPPP1CAMALT1SMN1; SMN2RPA1 |
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-104903316-A | Substituted pyrazoles as N-type calcium channel blockers | JANSSEN PHARMACEUTICA NV | 2015-09-09 | — | — | CN | disclosed |