Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | CTSD | P07339 | 8/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.40 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.40 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | TACR2 | P21452 | 1/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 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 | |
|---|---|---|---|---|
| SCHEMBL9082870 | 0.89 | ADORA3 (0.41) | ADORA3ADORA2AADORA2BADORA1CTSD | |
| SCHEMBL7335774 | 0.85 | ADORA3 (0.56) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7267259 | 0.77 | CYP3A4 (0.58) | ADORA3ADORA2AADORA2BADORA1CTSD | |
| SCHEMBL9544246 | 0.76 | ADORA3 (0.52) | ADORA3ADORA2AADORA2BADORA1CTSD | |
| SCHEMBL9545389 | 0.75 | ADORA3 (0.52) | ADORA3ADORA2AADORA2BADORA1REN | |
| SCHEMBL7335261 | 0.75 | CYP3A4 (0.42) | ADORA3ADORA2AADORA2BADORA1CTSD | |
| SCHEMBL7268840 | 0.74 | ADORA3 (0.53) | ADORA3ADORA2AADORA2BADORA1REN | |
| SCHEMBL9073635 | 0.73 | ADORA3 (0.52) | ADORA3ADORA2AADORA2BADORA1CTSD | |
| SCHEMBL7336229 | 0.72 | ADORA3 (0.54) | ADORA3ADORA2AADORA2BADORA1CTSD | |
| SCHEMBL9544554 | 0.72 | CYP3A4 (0.52) | ADORA3ADORA2AADORA2BADORA1CTSD |
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-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 |