Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.58 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.58 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.58 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.56 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.56 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.56 |
| ▸ | TACR2 | P21452 | 2/20 | 0.56 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.56 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.56 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.56 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.56 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.56 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 1/20 | 0.56 |
| ▸ | DRD2 | P14416 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL7267310 | 1.00 | ADORA3 (0.58) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7269518 | 0.90 | ADORA3 (0.51) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7830151 | 0.88 | CYP3A4 (0.72) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL16342780 | 0.88 | CYP3A4 (0.72) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL16298759 | 0.88 | CYP3A4 (0.72) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL4412760 | 0.88 | CYP3A4 (0.72) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7284508 | 0.88 | CYP3A4 (0.72) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7282547 | 0.87 | ADORA3 (0.59) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7282560 | 0.87 | ADORA3 (0.59) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7335770 | 0.87 | ADORA3 (0.59) | 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 1 patent. 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 |