Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | RORB | Q92753 | 5/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL3974618 | 0.93 | ADORA1 (0.44) | ADORA1CNR2ALDH1A1MEN1CYP1A2 | |
| SCHEMBL4090647 | 0.87 | ADORA1 (0.46) | ADORA1CNR2ALDH1A1RORBMAOB | |
| SCHEMBL4078130 | 0.82 | ADORA1 (0.40) | ADORA1MAPTRORBMAOBRORC | |
| SCHEMBL4076829 | 0.82 | RORB (0.41) | ADORA1ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL3976892 | 0.80 | ADORA1 (0.68) | ADORA1CNR2ALDH1A1MEN1CYP1A2 | |
| SCHEMBL4091364 | 0.79 | ADORA1 (0.56) | ADORA1CNR2MAPTRORBMAOB | |
| SCHEMBL4080804 | 0.79 | ADORA1 (0.43) | ADORA1CNR2MAPTRORBMAOB | |
| SCHEMBL3981712 | 0.74 | GRM6 (0.57) | ADORA1ALDH1A1MEN1CYP1A2CYP3A4 | |
| SCHEMBL3974619 | 0.73 | ADORA1 (0.67) | ADORA1CNR2ALDH1A1MEN1CYP1A2 | |
| SCHEMBL4085898 | 0.72 | ADORA1 (0.42) | ADORA1CNR2ALDH1A1RORBMAOB |
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 |