Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 19/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 16/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21996410 | 1.00 | ADORA2A (0.45) | ADORA2AADORA2BNPC1PKMRAB9A | |
| SCHEMBL21996413 | 1.00 | ADORA2A (0.45) | ADORA2AADORA2BNPC1PKMRAB9A | |
| SCHEMBL30989935 | 1.00 | ADORA2A (0.45) | ADORA2AADORA2BNPC1PKMRAB9A | |
| SCHEMBL22061602 | 0.98 | ADORA2A (0.44) | ADORA2AADORA2BNPC1PKMRAB9A | |
| SCHEMBL29475916 | 0.98 | ADORA2A (0.44) | ADORA2AADORA2BNPC1PKMRAB9A | |
| SCHEMBL23210399 | 0.95 | ADORA2A (0.46) | ADORA2AADORA2BNPC1PKMRAB9A | |
| SCHEMBL29475978 | 0.95 | ADORA2A (0.46) | ADORA2AADORA2BNPC1PKMRAB9A | |
| SCHEMBL23210398 | 0.95 | ADORA2A (0.46) | ADORA2AADORA2BNPC1PKMRAB9A | |
| SCHEMBL23210325 | 0.94 | ADORA2A (0.43) | ADORA2AADORA2BNPC1PKMRAB9A | |
| SCHEMBL23210324 | 0.94 | ADORA2A (0.43) | ADORA2AADORA2BNPC1PKMRAB9A |
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-4626892-A1 | ADENOSINE A2A AND A2B RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF | Merck Sharp & Dohme LLC (US) | 2025-10-08 | — | — | EP | disclosed |
| WO-2024118460-A1 | ADENOSINE A2A AND A2B RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF | MERCK SHARP & DOHME LLC (US) | 2024-06-06 | — | — | WO | disclosed |