Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHGDH | O43175 | 3/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | SLC5A1 | P13866 | 2/20 | 0.34 |
| ▸ | VCP | P55072 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | NPY2R | P49146 | 1/20 | 0.32 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | IDH2 | P48735 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCND3 | P30281 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | KIT | P10721 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL20632133 | 0.90 | MPL (0.35) | SLC5A1SCN9ANPY2RIDH2CDK4 | |
| SCHEMBL20632641 | 0.90 | ALOX15 (0.35) | SLC5A1SCN9AKARS1IDH2CDK4 | |
| SCHEMBL20631923 | 0.89 | PHGDH (0.41) | PHGDHKARS1ALDH1A1IDH2KIT | |
| SCHEMBL20632784 | 0.87 | KARS1 (0.38) | CNR2VCPKARS1GSK3BDRD2 | |
| SCHEMBL20631483 | 0.85 | FAAH (0.34) | TRPV1SCN9ANPY2RIDH2HTR1A | |
| SCHEMBL20631437 | 0.84 | KDM1A (0.36) | CNR2NPY2RIDH2 | |
| SCHEMBL20633275 | 0.84 | ALOX15 (0.41) | PHGDHSCN9AKARS1ALDH1A1IDH2 | |
| SCHEMBL16775953 | 0.83 | TRPV1 (0.44) | PHGDHTRPV1SCN9ANPY2RKARS1 | |
| SCHEMBL20632293 | 0.83 | L3MBTL1 (0.44) | PHGDHNPY2RALDH1A1IDH2GSK3B | |
| SCHEMBL20631689 | 0.82 | GRIN1 (0.33) | NPY2RALDH1A1IDH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2997029-B1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2019-01-09 | — | — | EP | disclosed |