Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.40 |
| ▸ | DHFR | P00374 | 2/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.35 |
| ▸ | MTOR | P42345 | 2/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 4/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | BRD2 | P25440 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.33 |
| ▸ | BRDT | Q58F21 | 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 | |
|---|---|---|---|---|
| SCHEMBL6950768 | 0.74 | CYP17A1 (0.39) | ADORA2AADORA1PIK3CAMTORAHR | |
| SCHEMBL6948818 | 0.72 | CYP1A2 (0.50) | ADORA2AADORA1MAPK1 | |
| SCHEMBL6944400 | 0.70 | HRH3 (0.42) | ADORA2AADORA1 | |
| SCHEMBL6947940 | 0.70 | PIN1 (0.48) | ADORA2AADORA1HTR6PIN1 | |
| SCHEMBL6939911 | 0.70 | DHFR (0.47) | ADORA2AADORA1DHFRPIK3CAPIK3CB | |
| SCHEMBL6948190 | 0.70 | KRAS (0.40) | DHFRPIK3CAMTORPIK3CDPIK3CB | |
| SCHEMBL6946585 | 0.70 | MPO (0.40) | ADORA2AHTR6 | |
| SCHEMBL6945083 | 0.69 | PIN1 (0.44) | DHFRHTR6PIN1 | |
| Ammonia Solution, Strong SCHEMBL17009431 | 0.68 | KDM4A (0.41) | ADORA2AADORA1 | |
| SCHEMBL6944455 | 0.68 | HRH4 (0.44) | DHFR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |