Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 3/20 | 0.40 |
| ▸ | RORB | Q92753 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 4/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 4/20 | 0.38 |
| ▸ | RORC | P51449 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4090647 | 0.93 | ADORA1 (0.46) | ADORA1RORBRORCNPC1RAB9A | |
| SCHEMBL4076829 | 0.87 | RORB (0.41) | ADORA1RORBTP53RORCMAPT | |
| SCHEMBL3974618 | 0.86 | ADORA1 (0.44) | ADORA1RORBRORCMAPTMAOB | |
| SCHEMBL4080804 | 0.86 | ADORA1 (0.43) | ADORA1RORBRORCMAPTADORA2A | |
| SCHEMBL3976889 | 0.82 | ADORA1 (0.46) | ADORA1RORBRORCMAPTMAOB | |
| SCHEMBL4091364 | 0.82 | ADORA1 (0.56) | ADORA1RORBRORCMAPTADORA2A | |
| SCHEMBL4078131 | 0.75 | ADORA1 (0.68) | ADORA1RORBTP53MDM2MAPT | |
| SCHEMBL4085898 | 0.75 | ADORA1 (0.42) | ADORA1RORBRORCADORA2AMAOB | |
| SCHEMBL2478195 | 0.73 | RORC (0.50) | ADORA1RORBRORCMAPTADORA2A | |
| SCHEMBL3974628 | 0.70 | GRM6 (0.61) | ADORA1TP53MDM2MAPT |
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-2009049362-A1 | A1 ADENOSINE RECEPTOR ALLOSTERIC ENHANCERS | MONASH UNIVERSITY (AU) | 2009-04-23 | — | — | WO | disclosed |