Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 18/20 | 0.46 |
| ▸ | HRH1 | P35367 | 18/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19575740 | 0.85 | HRH2 (0.46) | HRH2HRH1ADORA3HTR2AHTR7 | |
| SCHEMBL20972737 | 0.80 | ADORA2A (0.60) | HRH2HRH1 | |
| SCHEMBL19575392 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL28312981 | 0.71 | HRH1 (0.52) | HRH2HRH1ADORA3HTR2AHTR7 | |
| SCHEMBL20973525 | 0.70 | ADCY5 (0.49) | — | |
| Hydrochloric Acid SCHEMBL7362546 | 0.68 | TLR8 (0.41) | — | |
| SCHEMBL20975226 | 0.67 | ADCY5 (0.53) | — | |
| SCHEMBL27166403 | 0.67 | HRH2 (0.56) | HRH2HRH1ADORA3HTR2AHTR7 | |
| SCHEMBL29991910 | 0.67 | HRH2 (0.56) | HRH2HRH1ADORA3HTR2AHTR7 | |
| SCHEMBL27955987 | 0.67 | MAPT (0.53) | HRH2HRH1 |
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-2017191297-A1 | ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | BCI PHARMA (FR) | 2017-11-09 | — | — | WO | disclosed |