Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 10/20 | 0.79 |
| ▸ | DRD3 | P35462 | 7/20 | 0.69 |
| ▸ | HRH1 | P35367 | 6/20 | 0.69 |
| ▸ | HTR1A | P08908 | 5/20 | 0.69 |
| ▸ | DRD2 | P14416 | 5/20 | 0.69 |
| ▸ | HTR2A | P28223 | 5/20 | 0.69 |
| ▸ | TMEM97 | Q5BJF2 | 4/20 | 0.69 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.69 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.69 |
| ▸ | DRD1 | P21728 | 1/20 | 0.66 |
| ▸ | DRD5 | P21918 | 1/20 | 0.66 |
| ▸ | NPC1 | O15118 | 1/20 | 0.64 |
| ▸ | RAB9A | P51151 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | USP2 | O75604 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 1/20 | 0.63 |
| ▸ | HRH2 | P25021 | 3/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL20372647 | 0.94 | HRH3 (0.71) | HRH3DRD3HRH1HTR1ADRD2 | |
| SCHEMBL21659428 | 0.92 | HRH3 (0.68) | HRH3DRD3HRH1HTR1ADRD2 | |
| SCHEMBL21659286 | 0.90 | HRH3 (0.66) | HRH3DRD3HRH1HTR1ADRD2 | |
| Hydrochloric Acid SCHEMBL23855511 | 0.89 | HRH3 (0.64) | HRH3DRD3HRH1HTR1ADRD2 | |
| SCHEMBL12050742 | 0.89 | HRH3 (1.00) | HRH3HRH1KCNH2NPC1RAB9A | |
| SCHEMBL21659763 | 0.86 | HRH3 (0.77) | HRH3KCNH2 | |
| SCHEMBL14922316 | 0.84 | HRH3 (0.62) | HRH3DRD3HRH1HTR1ADRD2 | |
| SCHEMBL21450633 | 0.84 | HRH3 (0.62) | HRH3DRD3HRH1HTR1ADRD2 | |
| SCHEMBL27681380 | 0.83 | HRH3 (0.58) | HRH3DRD3HRH1HTR1ADRD2 | |
| SCHEMBL22022308 | 0.83 | HRH3 (0.61) | HRH3DRD3HRH1HTR1ADRD2 |
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-2020020097-A1 | PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST | BEIGENE, LTD. (KY) | 2020-01-30 | — | — | WO | disclosed |