Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.49 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 3/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.38 |
| ▸ | KDM1A | O60341 | 4/20 | 0.38 |
| ▸ | PREP | P48147 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.38 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7304137 | 1.00 | ADORA3 (0.49) | ADORA3ADORA2AADORA2BADORA1CTSB | |
| SCHEMBL7307601 | 0.90 | ADORA3 (0.64) | ADORA3ADORA2AADORA2BADORA1OPRK1 | |
| SCHEMBL7305767 | 0.90 | ADORA3 (0.64) | ADORA3ADORA2AADORA2BADORA1OPRK1 | |
| SCHEMBL9168915 | 0.83 | ADORA3 (0.46) | ADORA3ADORA2AADORA2BADORA1OPRK1 | |
| SCHEMBL9168426 | 0.83 | ADORA3 (0.46) | ADORA3ADORA2AADORA2BADORA1OPRK1 | |
| SCHEMBL7312690 | 0.80 | MEN1 (0.37) | — | |
| SCHEMBL7300465 | 0.78 | ADORA3 (0.49) | ADORA3ADORA2AADORA2BADORA1CTSB | |
| SCHEMBL9018608 | 0.78 | ADORA3 (0.45) | ADORA3ADORA2AADORA2BADORA1CTSB | |
| SCHEMBL7389742 | 0.78 | ADORA3 (0.55) | ADORA3ADORA2AADORA2BADORA1TRPM8 | |
| SCHEMBL7267808 | 0.76 | ADORA3 (0.62) | ADORA3ADORA2AADORA2BADORA1CTSB |
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-0528242-A2 | Trifluoromethyl containing pseudopeptides | BAYER AG (DE) | 1993-02-24 | — | — | EP | disclosed |