Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 8/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 8/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 8/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.46 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 2/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | BRS3 | P32247 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9528045 | 0.87 | ENPP1 (0.44) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL9526805 | 0.86 | CYP1A2 (0.48) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL9525854 | 0.86 | ENPP1 (0.45) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL9527376 | 0.82 | CYP1A2 (0.46) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL9526082 | 0.82 | NOS2 (0.62) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL9527291 | 0.81 | CYP2D6 (0.46) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL9528042 | 0.80 | CYP1A2 (0.56) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL9528059 | 0.80 | NOS2 (0.65) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL9527430 | 0.79 | CYP2D6 (0.57) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL9527808 | 0.78 | BRS3 (0.63) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0134400-B1 | FLUOROALKOXYSUBSTITUTED PYRIDYLMETHYLTHIO-(OR SULFINYL-)BENZIMIDAZOLES HAVING A SECRETOLYTIC ACTIVITY | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1993-03-24 | — | — | EP | disclosed |
| US-4555518-A | ANTIULCER AGENTS | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1985-11-26 | — | — | US | disclosed |
| EP-0134400-A2 | Fluoroalkoxysubstituted pyridylmethylthio-(or sulfinyl-)benzimidazoles having a secretolytic activity | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1985-03-20 | — | — | EP | disclosed |