Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA2 | P42262 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SHMT2 | P34897 | 2/20 | 0.35 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.32 |
| ▸ | CDK2 | P24941 | 4/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 4/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21625155 | 0.85 | SHMT2 (0.42) | SHMT2PIK3CAPIK3CG | |
| SCHEMBL21625146 | 0.83 | CACNA2D1 (0.41) | GRIA2CYP2C9CYP2C19SHMT2CACNA2D1 | |
| SCHEMBL21636250 | 0.75 | F10 (0.34) | SHMT2CCNA2CDK2CCNA1 | |
| SCHEMBL21625053 | 0.75 | NR1H4 (0.46) | SHMT2CACNA2D1PIK3CAPIK3CGALDH1A1 | |
| SCHEMBL21625090 | 0.73 | SHMT2 (0.43) | SHMT2PIK3CAPIK3CG | |
| SCHEMBL21636241 | 0.73 | HIF1A (0.43) | CYP2C9CYP2C19SHMT2CYP1A2PIK3CA | |
| SCHEMBL21625205 | 0.71 | SHMT2 (0.42) | GRIA2CYP2C9CYP2C19SHMT2CACNA2D1 | |
| SCHEMBL21625082 | 0.71 | PIK3CD (0.46) | GRIA2CYP2C9CYP2C19SHMT2CACNA2D1 | |
| SCHEMBL21625120 | 0.70 | SHMT2 (0.43) | SHMT2RAD52PIK3CAPIK3CGPOLB | |
| SCHEMBL21625073 | 0.69 | SHMT2 (0.48) | SHMT2RAD52PIK3CAPIK3CGPOLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020016315-A1 | FUSED DIHYDROINDAZOLE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-01-23 | — | — | WO | disclosed |