Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 2/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.42 |
| ▸ | SPPL2A | Q8TCT8 | 1/20 | 0.42 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 4/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7309658 | 1.00 | ADORA3 (0.47) | ADORA3ADORA2AADORA2BADORA1TRPM8 | |
| SCHEMBL7311967 | 0.89 | ADORA3 (0.62) | ADORA3ADORA2AADORA2BADORA1CTSB | |
| SCHEMBL9164592 | 0.89 | ADORA3 (0.62) | ADORA3ADORA2AADORA2BADORA1CTSB | |
| SCHEMBL9018608 | 0.82 | ADORA3 (0.45) | ADORA3ADORA2AADORA2BADORA1TRPM8 | |
| SCHEMBL9171812 | 0.80 | ADORA3 (0.43) | ADORA3ADORA2AADORA2BADORA1KLK5 | |
| SCHEMBL9164719 | 0.80 | ADORA3 (0.43) | ADORA3ADORA2AADORA2BADORA1KLK5 | |
| SCHEMBL7300465 | 0.79 | ADORA3 (0.49) | ADORA3ADORA2AADORA2BADORA1TRPM8 | |
| SCHEMBL5704587 | 0.75 | TRPM8 (0.57) | TRPM8CTSBCTRB1ALDH1A1CTSL | |
| SCHEMBL7304137 | 0.75 | ADORA3 (0.49) | ADORA3ADORA2AADORA2BADORA1TRPM8 | |
| SCHEMBL7306807 | 0.75 | ADORA3 (0.49) | ADORA3ADORA2AADORA2BADORA1TRPM8 |
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 |