Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.41 |
| ▸ | SHMT2 | P34897 | 2/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 8/20 | 0.39 |
| ▸ | PIK3R2 | O00459 | 8/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 8/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 8/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 8/20 | 0.39 |
| ▸ | PIK3R5 | Q8WYR1 | 8/20 | 0.39 |
| ▸ | PIK3R3 | Q92569 | 8/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.38 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21625205 | 0.88 | SHMT2 (0.42) | CACNA2D1SHMT2PIK3CDPIK3R2PIK3CA | |
| SCHEMBL21625053 | 0.87 | NR1H4 (0.46) | CACNA2D1SHMT2PIK3CDPIK3R2PIK3CA | |
| SCHEMBL21625120 | 0.83 | SHMT2 (0.43) | SHMT2PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL21636277 | 0.83 | GRIA2 (0.37) | CACNA2D1SHMT2PIK3CAPIK3CGCCNA2 | |
| SCHEMBL21625155 | 0.82 | SHMT2 (0.42) | SHMT2PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL21625073 | 0.82 | SHMT2 (0.48) | SHMT2PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL21625114 | 0.76 | CDK2 (0.43) | SHMT2PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL21625090 | 0.76 | SHMT2 (0.43) | SHMT2PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL21625157 | 0.74 | SHMT2 (0.59) | SHMT2PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL21636241 | 0.72 | 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 |