Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 16/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 16/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7015035 | 0.91 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL7145792 | 0.84 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL7010265 | 0.80 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL7008559 | 0.80 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL7008170 | 0.80 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL7014197 | 0.80 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL7006012 | 0.79 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL7011865 | 0.79 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL7007982 | 0.77 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL7008301 | 0.75 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6613775-B1 | 8-(2,6-dimethylbenzylamino)-2-hydroxymethyl-3-methylimidazo(1, 2-a)pyridine used as antisecretory agents for prophylaxis of gastrointestinal disorders such as ulcers | ASTRAZENECA AB (SE) | 2003-09-02 | — | — | US | disclosed |
| EP-1105390-B1 | Imidazo[1,2-a]pyridine derivatives for the treatment of gastrointestinal diseases | ASTRAZENECA AB (SE) | 2003-06-04 | — | — | EP | disclosed |