Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ2 | O43526 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | BRD2 | P25440 | 1/20 | 0.36 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | XIAP | P98170 | 1/20 | 0.34 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.34 |
| ▸ | PREP | P48147 | 2/20 | 0.34 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.33 |
| ▸ | PRNP | P04156 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6178737 | 0.89 | KCNQ2 (0.45) | KCNQ2BRD4BRD2BRD3SCN5A | |
| SCHEMBL7962381 | 0.80 | KYAT1 (0.40) | ALDH1A1TP53CYP3A4TSHR | |
| SCHEMBL6176791 | 0.77 | NAAA (0.48) | NAAAALDH1A1PREP | |
| SCHEMBL7962689 | 0.77 | BRD4 (0.40) | KCNQ2BRD4BRD2BRD3CA1 | |
| SCHEMBL17556856 | 0.73 | CA1 (0.47) | KCNQ2CA1CA2ACHENAAA | |
| SCHEMBL17557005 | 0.73 | CA1 (0.47) | KCNQ2CA1CA2ACHENAAA | |
| SCHEMBL16059873 | 0.73 | CA1 (0.47) | KCNQ2CA1CA2ACHENAAA | |
| SCHEMBL6179084 | 0.71 | CA1 (0.32) | KCNQ2BRD4BRD2BRD3CA1 | |
| Hydrochloric Acid SCHEMBL6177549 | 0.69 | GRM2 (0.34) | ALDH1A1 | |
| SCHEMBL10735046 | 0.68 | NAAA (0.44) | NAAAALDH1A1PREPASAH1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-6239131-B1 | WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 2001-05-29 | — | — | US | disclosed |