Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY12 | Q9H244 | 15/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23851820 | 1.00 | P2RY12 (0.35) | P2RY12ADORA2AGABRA1GABRG2GABRB3 | |
| SCHEMBL23852062 | 1.00 | P2RY12 (0.35) | P2RY12ADORA2AGABRA1GABRG2GABRB3 | |
| SCHEMBL23853840 | 0.91 | P2RY12 (0.35) | P2RY12ADORA2A | |
| SCHEMBL24129963 | 0.87 | HPGDS (0.42) | ADORA2AGABRA5 | |
| SCHEMBL23852703 | 0.77 | ADORA2A (0.47) | P2RY12ADORA2A | |
| SCHEMBL23854156 | 0.77 | HPGDS (0.42) | ADORA2AGABRA5 | |
| SCHEMBL23854157 | 0.77 | HPGDS (0.42) | ADORA2AGABRA5 | |
| SCHEMBL23854155 | 0.77 | HPGDS (0.42) | ADORA2AGABRA5 | |
| SCHEMBL24129983 | 0.76 | HPGDS (0.41) | ADORA2AGABRA5 | |
| SCHEMBL23854215 | 0.76 | HPGDS (0.41) | ADORA2AGABRA5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3883575-A1 | SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | Merck Sharp & Dohme Corp. (US) | 2021-09-29 | — | — | EP | disclosed |