Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | P2RY12 | Q9H244 | 4/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | P2RY2 | P41231 | 3/20 | 0.41 |
| ▸ | P2RY1 | P47900 | 2/20 | 0.41 |
| ▸ | AHCY | P23526 | 1/20 | 0.41 |
| ▸ | DNPH1 | O43598 | 1/20 | 0.41 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.41 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.41 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16480604 | 1.00 | CYP3A4 (0.55) | CYP3A4CYP2C9P2RY12ADORA2AP2RY2 | |
| SCHEMBL15588442 | 1.00 | CYP3A4 (0.55) | CYP3A4CYP2C9P2RY12ADORA2AP2RY2 | |
| SCHEMBL20059080 | 1.00 | CYP3A4 (0.55) | CYP3A4CYP2C9P2RY12ADORA2AP2RY2 | |
| SCHEMBL15588446 | 1.00 | CYP3A4 (0.55) | CYP3A4CYP2C9P2RY12ADORA2AP2RY2 | |
| SCHEMBL16480936 | 1.00 | CYP3A4 (0.55) | CYP3A4CYP2C9P2RY12ADORA2AP2RY2 | |
| SCHEMBL16480907 | 1.00 | CYP3A4 (0.55) | CYP3A4CYP2C9P2RY12ADORA2AP2RY2 | |
| SCHEMBL16480908 | 1.00 | CYP3A4 (0.55) | CYP3A4CYP2C9P2RY12ADORA2AP2RY2 | |
| SCHEMBL15588450 | 1.00 | CYP3A4 (0.55) | CYP3A4CYP2C9P2RY12ADORA2AP2RY2 | |
| SCHEMBL16777034 | 0.94 | CYP3A4 (0.56) | CYP3A4CYP2C9P2RY12P2RY2P2RY1 | |
| SCHEMBL16777696 | 0.94 | CYP3A4 (0.56) | CYP3A4CYP2C9P2RY12P2RY2P2RY1 |
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-2852603-B1 | D-AMINO ACID COMPOUNDS FOR LIVER DISEASE | IDENIX PHARMACEUTICALS LLC (US) | 2021-05-12 | — | — | EP | disclosed |
| EP-2906579-B1 | 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION | IDENIX PHARMACEUTICALS LLC (US) | 2018-04-18 | — | — | EP | disclosed |