Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.81 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.81 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.81 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.81 |
| ▸ | ACE | P12821 | 2/20 | 0.52 |
| ▸ | CTSD | P07339 | 3/20 | 0.48 |
| ▸ | CTSE | P14091 | 3/20 | 0.48 |
| ▸ | BACE1 | P56817 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.47 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.47 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | TACR2 | P21452 | 1/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7292084 | 1.00 | ADORA3 (0.81) | ADORA3ADORA2AADORA2BADORA1ACE | |
| SCHEMBL7276414 | 1.00 | ADORA3 (0.81) | ADORA3ADORA2AADORA2BADORA1ACE | |
| SCHEMBL7269347 | 0.90 | ADORA3 (1.00) | ADORA3ADORA2AADORA2BADORA1ACE | |
| SCHEMBL7268732 | 0.90 | ADORA3 (1.00) | ADORA3ADORA2AADORA2BADORA1ACE | |
| SCHEMBL7267693 | 0.88 | ADORA3 (0.79) | ADORA3ADORA2AADORA2BADORA1ACE | |
| SCHEMBL7302736 | 0.88 | ADORA3 (0.73) | ADORA3ADORA2AADORA2BADORA1ACE | |
| SCHEMBL7277173 | 0.86 | ADORA3 (0.92) | ADORA3ADORA2AADORA2BADORA1ACE | |
| SCHEMBL7267616 | 0.85 | ADORA3 (0.91) | ADORA3ADORA2AADORA2BADORA1ACE | |
| SCHEMBL7292072 | 0.85 | ADORA3 (0.61) | ADORA3ADORA2AADORA2BADORA1ACE | |
| SCHEMBL7282560 | 0.84 | ADORA3 (0.59) | ADORA3ADORA2AADORA2BADORA1ACE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0346847-B1 | Amino acid derivatives | HOFFMANN LA ROCHE (CH) | 1994-05-11 | — | — | EP | disclosed |
| EP-0346847-A2 | Amino acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1989-12-20 | — | — | EP | disclosed |