Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | ADK | P55263 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27729663 | 0.90 | NISCH (0.47) | NISCHKDM4EALDH1A1CYP2C19CYP1A2 | |
| SCHEMBL27750049 | 0.85 | NISCH (0.49) | NISCHKDM4EALDH1A1CYP2C19CYP1A2 | |
| SCHEMBL22181851 | 0.84 | CYP1A2 (0.56) | NISCHKDM4EALDH1A1CYP2C19CYP1A2 | |
| SCHEMBL13803933 | 0.75 | NISCH (0.63) | NISCHKDM4EALDH1A1CYP2C19CYP1A2 | |
| SCHEMBL27729601 | 0.75 | NISCH (0.54) | NISCHKDM4EALDH1A1CYP2C19CYP1A2 | |
| SCHEMBL722191 | 0.74 | NISCH (0.78) | NISCHKDM4EALDH1A1CYP2C19CYP1A2 | |
| SCHEMBL12462292 | 0.74 | CYP1A2 (0.72) | NISCHKDM4EALDH1A1CYP2C19CYP1A2 | |
| SCHEMBL9725409 | 0.73 | ALDH1A1 (0.44) | ALDH1A1CYP2C19POLBSMN1; SMN2 | |
| SCHEMBL862114 | 0.72 | NISCH (0.75) | NISCHKDM4EALDH1A1CYP2C19CYP1A2 | |
| SCHEMBL771362 | 0.72 | NISCH (0.63) | NISCHKDM4EALDH1A1CYP2C19CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101379065-A | Imidazopyridine derivatives inhibiting protein kinase activity, method for the preparation thereof and pharmaceutical composition containing same | CRYSTALGENOMICS INC (KR) | 2009-03-04 | — | — | CN | claimed |