Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRS3 | P32247 | 3/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | ATP1A1 | P05023 | 3/20 | 0.42 |
| ▸ | ATP1B1 | P05026 | 3/20 | 0.42 |
| ▸ | ATP1A3 | P13637 | 3/20 | 0.42 |
| ▸ | ATP1B2 | P14415 | 3/20 | 0.42 |
| ▸ | ATP4A | P20648 | 3/20 | 0.42 |
| ▸ | ATP1A2 | P50993 | 3/20 | 0.42 |
| ▸ | ATP4B | P51164 | 3/20 | 0.42 |
| ▸ | ATP1B3 | P54709 | 3/20 | 0.42 |
| ▸ | FXYD2 | P54710 | 3/20 | 0.42 |
| ▸ | ATP1A4 | Q13733 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | WDR5 | P61964 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9527112 | 0.92 | BRS3 (0.69) | BRS3CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL9526883 | 0.89 | BRS3 (0.66) | BRS3CYP2C9CYP2C19CYP1A2CYP3A4 | |
| Ufiprazole SCHEMBL29455226 | 0.88 | BRS3 (0.84) | BRS3CYP2C9CYP2C19CYP1A2CYP3A4 | |
| Ufiprazole SCHEMBL662986 | 0.88 | BRS3 (0.84) | BRS3CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL9527448 | 0.87 | BRS3 (0.68) | BRS3CYP2C9CYP2C19CYP1A2CYP3A4 | |
| Ufiprazole SCHEMBL31529606 | 0.86 | BRS3 (0.82) | BRS3CYP2C9CYP2C19CYP1A2CYP3A4 | |
| Ufiprazole SCHEMBL7929368 | 0.86 | BRS3 (0.82) | BRS3CYP2C9CYP2C19CYP1A2CYP3A4 | |
| Ufiprazole SCHEMBL7950477 | 0.86 | BRS3 (0.82) | BRS3CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL9527121 | 0.86 | BRS3 (0.69) | BRS3CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL6879158 | 0.85 | BRS3 (0.59) | BRS3CYP2C9CYP2C19CYP1A2CYP3A4 |
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-0134400-B1 | FLUOROALKOXYSUBSTITUTED PYRIDYLMETHYLTHIO-(OR SULFINYL-)BENZIMIDAZOLES HAVING A SECRETOLYTIC ACTIVITY | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1993-03-24 | — | — | EP | disclosed |