Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | ADK | P55263 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1545894 | 0.81 | NISCH (0.45) | NISCHMTORADKCYP1A2CYP3A4 | |
| SCHEMBL1546460 | 0.78 | NISCH (0.41) | NISCHMTORADKCYP1A2CYP3A4 | |
| SCHEMBL1545961 | 0.78 | CYP1A2 (0.46) | NISCHMTORADKCYP1A2CYP3A4 | |
| SCHEMBL21045005 | 0.78 | GABRA1 (0.39) | ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL1545797 | 0.76 | VCP (0.40) | NISCHMTORADKCYP1A2CYP3A4 | |
| SCHEMBL1665760 | 0.74 | — | — | |
| SCHEMBL1545794 | 0.72 | NISCH (0.53) | NISCHMTORADKCYP1A2CYP3A4 | |
| SCHEMBL1545003 | 0.72 | NISCH (0.53) | NISCHMTORADKCYP1A2CYP3A4 | |
| SCHEMBL11647219 | 0.72 | NISCH (0.47) | NISCHMTORADKCYP1A2CYP3A4 | |
| SCHEMBL8521841 | 0.70 | PTGS2 (0.35) | CYP3A4ALDH1A1KDM4E |
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-1809597-B1 | AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR | ABBOTT GMBH & CO KG (DE) | 2012-01-11 | — | — | EP | disclosed |