Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 13/20 | 0.46 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.39 |
| ▸ | SHMT2 | P34897 | 2/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | PIK3R5 | Q8WYR1 | 1/20 | 0.37 |
| ▸ | PIK3R3 | Q92569 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21625146 | 0.87 | CACNA2D1 (0.41) | CACNA2D1SHMT2PIK3CDPIK3R2PIK3CA | |
| SCHEMBL21625120 | 0.80 | SHMT2 (0.43) | SHMT2PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL21625205 | 0.78 | SHMT2 (0.42) | CACNA2D1SHMT2PIK3CDPIK3R2PIK3CA | |
| SCHEMBL21625073 | 0.77 | SHMT2 (0.48) | SHMT2PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL21636277 | 0.75 | GRIA2 (0.37) | CACNA2D1SHMT2PIK3CAPIK3CGALDH1A1 | |
| SCHEMBL21625155 | 0.74 | SHMT2 (0.42) | SHMT2PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL21625114 | 0.73 | CDK2 (0.43) | SHMT2PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL21625204 | 0.72 | ALDH1A1 (0.56) | SHMT2PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL21625157 | 0.71 | SHMT2 (0.59) | SHMT2PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL21636241 | 0.69 | HIF1A (0.43) | SHMT2PIK3CDPIK3R2PIK3CAPIK3CB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020016315-A1 | FUSED DIHYDROINDAZOLE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-01-23 | — | — | WO | claimed |
| WO-2020016315-A1 | FUSED DIHYDROINDAZOLE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-01-23 | — | — | WO | disclosed |
| WO-2020016315-A1 | FUSED DIHYDROINDAZOLE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-01-23 | — | — | WO | disclosed |