Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.62 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.62 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.62 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.49 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.48 |
| ▸ | FKBP1A | P62942 | 3/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.46 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.46 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.46 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | TACR2 | P21452 | 1/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7267693 | 0.90 | ADORA3 (0.79) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7389742 | 0.89 | ADORA3 (0.55) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7276319 | 0.89 | ADORA3 (0.63) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7335770 | 0.88 | ADORA3 (0.59) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL496314 | 0.87 | KLK5 (0.63) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7389473 | 0.87 | ADORA3 (0.54) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7387932 | 0.87 | ADORA3 (0.54) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7292550 | 0.87 | CYP3A4 (0.60) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7382156 | 0.87 | ADORA3 (0.54) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7387079 | 0.85 | ADORA3 (0.54) | ADORA3ADORA2AADORA2BADORA1CYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5652369-A | PROTEASE INHIBITOR | HOFFMANN-LA ROCHE INC. (US) | 1997-07-29 | — | — | US | disclosed |
| US-5554756-A | PROTEASE INHIBITOR | HOFFMANN-LA ROCHE INC. (US) | 1996-09-10 | — | — | US | disclosed |
| US-5446161-A | Protease inhibitor, viricides | HOFFMANN-LA ROCHE INC. (US) | 1995-08-29 | — | — | US | disclosed |
| EP-0346847-B1 | Amino acid derivatives | HOFFMANN LA ROCHE (CH) | 1994-05-11 | — | — | EP | disclosed |
| US-5157041-A | Viricides | HOFFMANN-LA ROCHE INC. (US) | 1992-10-20 | — | — | US | disclosed |
| EP-0346847-A2 | Amino acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1989-12-20 | — | — | EP | disclosed |