Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHMT2 | P34897 | 2/20 | 0.48 |
| ▸ | RAD52 | P43351 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | PIK3R5 | Q8WYR1 | 1/20 | 0.39 |
| ▸ | PIK3R3 | Q92569 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21625120 | 0.88 | SHMT2 (0.43) | SHMT2RAD52POLBPIK3CDPIK3R2 | |
| SCHEMBL21625114 | 0.87 | CDK2 (0.43) | SHMT2RAD52PIK3CDPIK3R2PIK3CA | |
| SCHEMBL21625146 | 0.82 | CACNA2D1 (0.41) | SHMT2RAD52PIK3CDPIK3R2PIK3CA | |
| SCHEMBL11867074 | 0.81 | RAD52 (0.62) | RAD52MAPTTHRBNFKB1NFKB2 | |
| SCHEMBL21625205 | 0.79 | SHMT2 (0.42) | SHMT2PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL21625053 | 0.77 | NR1H4 (0.46) | SHMT2PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL11859057 | 0.76 | RAD52 (0.64) | SHMT2RAD52POLBCCNA2CDK2 | |
| SCHEMBL21625207 | 0.76 | SHMT2 (0.52) | SHMT2PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL11860266 | 0.76 | RAD52 (0.58) | RAD52NFKB1NFKB2RELAMALT1 | |
| Hydrochloric Acid SCHEMBL11865925 | 0.75 | RAD52 (0.63) | SHMT2RAD52POLBCCNA2CDK2 |
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 |