Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.36 |
| ▸ | NAMPT | P43490 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 2/20 | 0.34 |
| ▸ | KDM5B | Q9UGL1 | 6/20 | 0.34 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL874686 | 0.92 | CYP3A4 (0.42) | CYP3A4CYP2D6CYP2C9KCNH2DRD2 | |
| SCHEMBL873657 | 0.86 | CYP3A4 (0.41) | CYP3A4CYP2D6CYP2C9KCNH2DRD2 | |
| SCHEMBL874082 | 0.85 | MAPT (0.38) | CYP3A4CYP2D6CYP2C9KCNH2DRD2 | |
| SCHEMBL874570 | 0.84 | MOK (0.43) | DRD2DRD3CHRNA7KDM4EMAPT | |
| SCHEMBL874837 | 0.83 | KMT2A (0.37) | CYP3A4CYP2D6CYP2C9KCNH2DRD2 | |
| SCHEMBL874152 | 0.83 | CHRNA7 (0.37) | CYP3A4CYP2D6CYP2C9KCNH2DRD2 | |
| SCHEMBL874515 | 0.83 | ATR (0.43) | CYP3A4CYP2D6CYP2C9KCNH2DRD2 | |
| SCHEMBL875385 | 0.82 | MAPT (0.40) | CYP3A4CYP2D6CYP2C9KCNH2CHRNA7 | |
| SCHEMBL873820 | 0.81 | ATR (0.46) | CYP3A4CYP2D6CYP2C9KCNH2DRD2 | |
| SCHEMBL874015 | 0.81 | DRD2 (0.41) | KCNH2DRD2DRD3CHRNA7NAMPT |
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-2012038905-A1 | THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-03-29 | — | — | WO | disclosed |