Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 14/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 12/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.52 |
| ▸ | HPGD | P15428 | 7/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 4/20 | 0.47 |
| ▸ | CRHBP | P24387 | 1/20 | 0.47 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7291890 | 0.92 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL7291227 | 0.89 | ALDH1A1 (0.49) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL7291749 | 0.81 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL7282692 | 0.81 | SMN1; SMN2 (0.47) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL7285451 | 0.76 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL7292695 | 0.75 | HTT (0.50) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL29904580 | 0.75 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL29904581 | 0.75 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL27241763 | 0.75 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL7291858 | 0.74 | PRKCH (0.44) | 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 |