Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBOAT4 | Q96T53 | 6/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.30 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.30 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13766275 | 0.87 | ADORA2A (0.32) | MBOAT4ADORA2AMAP4K1 | |
| SCHEMBL13766158 | 0.85 | MBOAT4 (0.31) | MBOAT4ADORA2A | |
| SCHEMBL13766326 | 0.79 | ADORA2A (0.32) | MBOAT4ADORA2AFAAH | |
| SCHEMBL13766153 | 0.79 | ADORA2A (0.35) | ADORA2A | |
| SCHEMBL12009989 | 0.77 | ADORA2A (0.56) | ADORA2A | |
| SCHEMBL12009917 | 0.74 | TPSAB1 (0.35) | MBOAT4ADORA2A | |
| SCHEMBL12010055 | 0.74 | BLM (0.32) | — | |
| SCHEMBL12009920 | 0.74 | ADORA2A (0.35) | MBOAT4ADORA2A | |
| SCHEMBL12927123 | 0.74 | ADORA2A (0.54) | ADORA2A | |
| SCHEMBL12009359 | 0.74 | ADORA2A (0.54) | ADORA2A |
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-2009082720-A2 | SUBSTITUTED 4-{3-[6-AMINO-9-(3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-2-YL]-PROP-2-YNYL}-PIPERIDINE-1-CARBOXYLIC ACID ESTERS AS A2AR AGONISTS | PGX HEALTH, LLC (US) | 2009-07-02 | — | — | WO | disclosed |