Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23043336 | 0.83 | P2RX7 (0.36) | P2RX7 | |
| SCHEMBL23980647 | 0.82 | HTR2C (0.35) | ABHD6 | |
| SCHEMBL31402653 | 0.75 | P2RX7 (0.35) | P2RX7 | |
| SCHEMBL18986893 | 0.73 | P2RX7 (0.37) | P2RX7 | |
| SCHEMBL15129431 | 0.73 | ACHE (0.44) | — | |
| SCHEMBL31722382 | 0.73 | P2RX7 (0.37) | P2RX7 | |
| SCHEMBL1150677 | 0.73 | ACHE (0.44) | — | |
| SCHEMBL17397762 | 0.73 | P2RX7 (0.37) | P2RX7 | |
| SCHEMBL4650091 | 0.73 | HTR2C (0.38) | — | |
| SCHEMBL31722229 | 0.73 | P2RX7 (0.34) | P2RX7 |
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-2021219072-A1 | PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR | 上海科州药物研发有限公司 (CN) | 2021-11-04 | — | — | WO | disclosed |