Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL7981147 | 0.96 | ADORA2B (0.42) | ADORA2BCNR2RXFP1KDM4EALDH1A1 | |
| SCHEMBL24476384 | 0.88 | ADORA2B (0.41) | ADORA2BCNR2RXFP1ALDH1A1HSP90AA1 | |
| SCHEMBL3155510 | 0.81 | KDM4E (0.58) | ADORA2BRXFP1KDM4EALDH1A1HPGD | |
| SCHEMBL19553602 | 0.81 | HSP90AB1 (0.47) | HSP90AA1HSP90AB1 | |
| SCHEMBL4846999 | 0.81 | ADORA2A (0.42) | ADORA2BALDH1A1ADORA2AADORA1 | |
| SCHEMBL7981421 | 0.81 | KDM4E (0.47) | ADORA2BRXFP1KDM4EALDH1A1HPGD | |
| SCHEMBL8177043 | 0.80 | ADORA2B (0.46) | ADORA2BCNR2RXFP1KDM4EALDH1A1 | |
| SCHEMBL24476558 | 0.80 | AMPD1 (0.43) | — | |
| SCHEMBL28675037 | 0.80 | AMPD1 (0.43) | — | |
| SCHEMBL7967624 | 0.80 | KDM4E (0.46) | ADORA2BRXFP1KDM4EALDH1A1HPGD |
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-2001094348-A1 | ANTIVIRAL AGENTS | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2001-12-13 | — | — | WO | disclosed |