Predicted protein targets (top 13)
| 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 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL9941539 | 0.94 | ADRA2C (0.33) | ADRA2CPTGS2HRH1HTR3APDE4D | |
| SCHEMBL9941868 | 0.81 | ADRA2C (0.34) | ADRA2CPTGS2HRH1HTR3APDE4D | |
| SCHEMBL9941889 | 0.80 | NR1I2 (0.33) | ADRA2CPTGS2HRH1HTR3APDE4D | |
| SCHEMBL10324333 | 0.80 | GRM5 (0.39) | ADRA2CPTGS2HRH1HTR3APDE4D | |
| SCHEMBL9975947 | 0.79 | ADRA2C (0.33) | ADRA2CPTGS2HRH1HTR3APDE4D | |
| SCHEMBL10364454 | 0.78 | TP53 (0.32) | ADRA2CPTGS2HRH1HTR3APDE4D | |
| SCHEMBL9941407 | 0.74 | NR1I2 (0.46) | — | |
| SCHEMBL9975714 | 0.74 | NR1I2 (0.46) | — | |
| SCHEMBL9941479 | 0.73 | NR1I2 (0.40) | — | |
| SCHEMBL9975910 | 0.72 | POLB (0.30) | KMT2A |
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 |