Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.35 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23214483 | 0.73 | CYP3A4 (0.40) | CSNK2A2CSNK2BCSNK2A1ADORA2AADORA2B | |
| SCHEMBL23214023 | 0.67 | CYP1A2 (0.36) | ADORA2AADORA2BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL374956 | 0.64 | CYP1A2 (0.32) | CYP1A2CYP3A4CYP2D6PDE4BPDE4D | |
| SCHEMBL4851130 | 0.63 | ADORA2B (0.36) | CSNK2A2CSNK2BCSNK2A1ADORA3ADORA2A | |
| SCHEMBL6001890 | 0.63 | CYP19A1 (0.42) | ADORA2BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14938360 | 0.63 | MEN1 (0.31) | CYP1A2CYP3A4CYP2D6PDE4BPDE4D | |
| Iodide SCHEMBL3468594 | 0.63 | CYP1A2 (0.31) | CYP1A2CYP3A4CYP2D6PDE4BPDE4D | |
| SCHEMBL9038600 | 0.63 | CYP1A2 (0.31) | CYP1A2CYP3A4CYP2D6PDE4BPDE4D | |
| Hydrochloric Acid SCHEMBL3260796 | 0.63 | CYP1A2 (0.31) | CYP1A2CYP3A4CYP2D6PDE4BPDE4D | |
| SCHEMBL11167293 | 0.59 | CYP3A4 (0.38) | ADORA2AADORA2BCYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008033455-A2 | BIPHENYL AND HETEROARYL PHENYL DERIVATIVES AS PROTEIN TYROSINE PHOSPHATASES INHIBITORS | THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) | 2008-03-20 | — | — | WO | disclosed |