Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
| ▸ | RAD52 | P43351 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9941462 | 0.90 | ADRA2C (0.33) | ADRA2CPTGS2HRH1HTR3APDE4D | |
| SCHEMBL16866368 | 0.89 | TP53 (0.35) | ALDH1A1MAPT | |
| SCHEMBL16859522 | 0.83 | ADRA2C (0.38) | ADRA2CPTGS2HRH1HTR3APDE4D | |
| SCHEMBL15639028 | 0.82 | ADRA2C (0.39) | ADRA2CPTGS2HRH1HTR3APDE4D | |
| SCHEMBL9975863 | 0.81 | MAPT (0.32) | KDM4EALDH1A1MAPTADORA1RAD52 | |
| SCHEMBL15639462 | 0.81 | NR1I2 (0.41) | ADRA2CPTGS2HRH1HTR3APDE4D | |
| SCHEMBL9975903 | 0.80 | MAPT (0.36) | ADRA2CPTGS2HRH1HTR3APDE4D | |
| SCHEMBL19397886 | 0.78 | ADRA2C (0.34) | ADRA2CPTGS2HRH1HTR3APDE4D | |
| SCHEMBL9975785 | 0.78 | CHRM5 (0.34) | MAPT | |
| SCHEMBL10381889 | 0.75 | ADRA2C (0.32) | ADRA2CPTGS2HRH1HTR3APDE4D |
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-2012083105-A1 | INHIBITORS OF HEPATITIS C VIRUS POLYMERASE | COCRYSTAL DISCOVERY, INC. (US) | 2012-06-21 | — | — | WO | disclosed |