Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPH1 | P17752 | 2/20 | 0.34 |
| ▸ | TPH2 | Q8IWU9 | 2/20 | 0.34 |
| ▸ | PARP1 | P09874 | 5/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
| ▸ | PDE1A | P54750 | 1/20 | 0.31 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.31 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.31 |
| ▸ | CASR | P41180 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 2/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4293285 | 0.88 | BRD4 (0.39) | TPH1TPH2PARP1DPP4CDK9 | |
| SCHEMBL4014905 | 0.85 | PDE1C (0.37) | TPH1TPH2PARP1DPP4NTRK1 | |
| SCHEMBL4014400 | 0.82 | ADORA2A (0.41) | PARP1DPP4CASRCCR2ADORA2A | |
| SCHEMBL4016181 | 0.78 | MEN1 (0.42) | DPP4CASRADORA2AADORA2BADORA1 | |
| SCHEMBL4016883 | 0.70 | TPH1 (0.44) | TPH1TPH2ADORA2AADORA2BADORA1 | |
| SCHEMBL4295147 | 0.69 | MAOB (0.40) | TPH1TPH2PARP1 | |
| SCHEMBL4016921 | 0.68 | ADORA2B (0.41) | TPH1TPH2PARP1ADORA2AADORA2B | |
| SCHEMBL4284310 | 0.68 | KDM1A (0.54) | — | |
| SCHEMBL4291739 | 0.67 | KDM1A (0.60) | — | |
| SCHEMBL4287016 | 0.67 | ADORA2B (0.46) | CCR2ADORA2AADORA2BADORA1 |
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-2009157938-A1 | A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING CANCER | CV THERAPEUTICS, INC. (US) | 2009-12-30 | — | — | WO | disclosed |