Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.46 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.46 |
| ▸ | TACR2 | P21452 | 2/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.46 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.46 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL8506334 | 0.90 | CYP3A4 (0.48) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7267259 | 0.88 | CYP3A4 (0.58) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7335770 | 0.85 | ADORA3 (0.59) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7267310 | 0.81 | ADORA3 (0.58) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7285802 | 0.81 | ADORA3 (0.58) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7268243 | 0.81 | ADORA3 (0.44) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7269518 | 0.79 | ADORA3 (0.51) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7267194 | 0.78 | CYP3A4 (0.61) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7267493 | 0.77 | CYP3A4 (0.59) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7389650 | 0.76 | CYP3A4 (0.48) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6008228-A | COMPRISING A MIXTURE OF CARRIER MONOGLYCERIDES OF MEDIUM CHAIN-FATTY ACIDS | HOFFMAN-LA ROCHE INC. (US) | 1999-12-28 | — | — | US | disclosed |
| EP-0831826-A1 | PHARMACEUTICAL COMPOSITION COMPRISING A PROTEINASE INHIBITOR AND A MONOGLYCERIDE | F. HOFFMANN-LA ROCHE AG (CH) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996039142-A1 | PHARMACEUTICAL COMPOSITION COMPRISING A PROTEINASE INHIBITOR AND A MONOGLYCERIDE | F. HOFFMANN-LA ROCHE AG (CH) | 1996-12-12 | — | — | WO | disclosed |