Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.39 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | ADK | P55263 | 1/20 | 0.34 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.33 |
| ▸ | RAF1 | P04049 | 2/20 | 0.33 |
| ▸ | BRAF | P15056 | 2/20 | 0.33 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.33 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.33 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.33 |
| ▸ | MAP2K2 | P36507 | 2/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 2/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL23291968 | 0.98 | COMT (0.38) | COMTNISCHNPY5RKDM4EALDH1A1 | |
| SCHEMBL4585526 | 0.73 | NISCH (0.36) | NISCHNPY5RKDM4EALDH1A1MTOR | |
| SCHEMBL28301628 | 0.71 | PIN1 (0.58) | NPY5RKDM4EALDH1A1MAPK13MAPK12 | |
| SCHEMBL28053098 | 0.68 | SMPD3 (0.49) | COMTNISCHNPY5RSCN2APIN1 | |
| SCHEMBL4967794 | 0.68 | PDE4A (0.44) | NPY5RMAPK13RAF1MAPK12MAPK11 | |
| SCHEMBL28303090 | 0.66 | KDM4E (0.54) | KDM4EALDH1A1MAPK13RAF1MAPK12 | |
| SCHEMBL7454459 | 0.65 | PDE3B (0.50) | NPY5RALDH1A1MAPTHPGDALOX15 | |
| SCHEMBL2130711 | 0.63 | MAPK1 (0.53) | NPY5RKDM4EALDH1A1MAPK13MAPK12 | |
| SCHEMBL29629440 | 0.63 | KDM4E (0.33) | KDM4EALDH1A1MAPK14CDK5CDK5R1 | |
| SCHEMBL28133332 | 0.63 | PDE3B (0.53) | ALDH1A1MAPK13MAPK12MAPK11MAPK14 |
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-3994138-A1 | ESTROGEN-RELATED RECEPTOR ALPHA (ERRalpha) MODULATORS | Lead Pharma Holding B.V. (NL) | 2022-05-11 | — | — | EP | disclosed |