Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | CNR1 | P21554 | 3/20 | 0.48 |
| ▸ | SQOR | Q9Y6N5 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | PIM1 | P11309 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | GALR3 | O60755 | 1/20 | 0.42 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL7290824 | 0.90 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL7284126 | 0.88 | PDE3B (0.45) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL7285813 | 0.87 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL7434710 | 0.83 | PDE3B (0.41) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL7291890 | 0.78 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL7284442 | 0.78 | PDE3B (0.43) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL7291760 | 0.76 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL7291069 | 0.74 | KDM4E (0.42) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL7284448 | 0.74 | NPSR1 (1.00) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL29904596 | 0.74 | NPSR1 (1.00) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 |
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-0200024-A2 | 3-Cyano-pyridines, process for their preparation and their pharmaceutical use | ARZNEIMITTELWERK DRESDEN GmbH (DE) | 1986-11-05 | — | — | EP | disclosed |