Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 4/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | F2R | P25116 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.33 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22242037 | 0.83 | ADORA2A (0.50) | DRD4SIGMAR1ADORA2AHRH3KCNH2 | |
| SCHEMBL4276755 | 0.82 | KCNH2 (0.52) | ADORA2AKCNH2ALDH1A1ADORA3ADORA2B | |
| SCHEMBL24347490 | 0.81 | SIGMAR1 (0.39) | DRD4SIGMAR1ADORA2AHRH3KCNH2 | |
| SCHEMBL24347905 | 0.80 | HRH3 (0.34) | DRD4SIGMAR1ADORA2AHRH3 | |
| SCHEMBL23967090 | 0.79 | SIGMAR1 (0.38) | DRD4SIGMAR1ADORA2AHRH3KCNH2 | |
| SCHEMBL31546866 | 0.79 | KDM1A (0.40) | DRD4SIGMAR1ADORA2AKCNH2HTR2A | |
| SCHEMBL24063931 | 0.76 | ADORA2A (0.46) | DRD4ADORA2AHRH3KCNH2CXCR4 | |
| SCHEMBL19837936 | 0.76 | ADORA2A (0.43) | DRD4SIGMAR1ADORA2AKCNH2CXCR4 | |
| SCHEMBL29509184 | 0.76 | ADORA2A (0.43) | DRD4SIGMAR1ADORA2AKCNH2CXCR4 | |
| SCHEMBL2588526 | 0.76 | DRD4 (0.53) | DRD4SIGMAR1ADORA2AALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021146631-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | NUVATION BIO INC. (US) | 2021-07-22 | — | — | WO | disclosed |
| WO-2020150677-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | NUVATION BIO INC. (US) | 2020-07-23 | — | — | WO | disclosed |