Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 4/20 | 0.61 |
| ▸ | TMIGD3 | P0DMS9 | 3/20 | 0.61 |
| ▸ | GCK | P35557 | 6/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | FPR1 | P21462 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16358871 | 0.85 | GCK (0.45) | ADORA1TMIGD3GCKCNR2ATAD2 | |
| SCHEMBL16358870 | 0.83 | ADORA1 (0.62) | ADORA1TMIGD3GCKADORA2ACNR2 | |
| SCHEMBL1620978 | 0.81 | ADORA1 (0.59) | ADORA1TMIGD3GCKADORA2ACNR2 | |
| SCHEMBL9892352 | 0.77 | ADORA1 (1.00) | ADORA1TMIGD3GCKADORA2ACCR2 | |
| SCHEMBL1619549 | 0.76 | TMIGD3 (0.53) | ADORA1TMIGD3GCKCNR2CCR2 | |
| SCHEMBL16358878 | 0.76 | ADORA1 (0.52) | ADORA1TMIGD3GCKADORA2ACNR2 | |
| SCHEMBL24107634 | 0.74 | ADORA1 (0.57) | ADORA1TMIGD3GCKADORA2ACNR2 | |
| SCHEMBL9891514 | 0.71 | ADORA1 (0.86) | ADORA1TMIGD3ADORA2ACCR2RORC | |
| SCHEMBL16480470 | 0.70 | ADORA1 (0.70) | ADORA1TMIGD3ADORA2ARORCNPC1 | |
| SCHEMBL9893165 | 0.69 | ADORA1 (0.65) | ADORA1TMIGD3GCKADORA2ACCR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2074084-B1 | COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INT (DE) | 2013-08-28 | — | — | EP | disclosed |