Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | BCL6 | P41182 | 1/20 | 0.48 |
| ▸ | BCOR | Q6W2J9 | 1/20 | 0.48 |
| ▸ | NEU3 | Q9UQ49 | 1/20 | 0.48 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7894917 | 0.87 | CA1 (0.55) | CA1CA2CA9ALDH1A1NEU3 | |
| SCHEMBL10201340 | 0.86 | CA1 (0.57) | CA1CA2CA9ALDH1A1HSD17B10 | |
| SCHEMBL1105954 | 0.84 | PDK1 (0.60) | CA1CA2CA9ALDH1A1BCL6 | |
| SCHEMBL7134165 | 0.84 | ALDH1A1 (0.49) | CA1CA2CA9ALDH1A1BCL6 | |
| SCHEMBL6259587 | 0.84 | F10 (0.52) | CA1CA2CA9ALDH1A1NEU3 | |
| SCHEMBL10778913 | 0.83 | CA1 (0.55) | CA1CA2CA9ALDH1A1HSD17B10 | |
| SCHEMBL11271160 | 0.83 | CA1 (0.54) | CA1CA2CA9ALDH1A1HSD17B10 | |
| SCHEMBL8856848 | 0.82 | KDM4E (0.54) | ALDH1A1BCL6BCORBCAT2KDM4E | |
| SCHEMBL28680863 | 0.81 | ALDH1A1 (0.77) | CA1CA2CA9ALDH1A1BCL6 | |
| SCHEMBL6811014 | 0.81 | ALDH1A1 (0.55) | CA1CA2CA9ALDH1A1BCAT2 |
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-0243959-B1 | SUBSTITUTED BENZAMIDE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Dainippon Pharmaceutical Co., Ltd. (JP) | 1992-08-19 | — | — | EP | disclosed |
| US-4870074-A | Substituted benzamide derivatives, for enhancing gastrointestinal motility | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 1989-09-26 | — | — | US | disclosed |
| EP-0243959-A1 | Substituted benzamide derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same | Dainippon Pharmaceutical Co., Ltd. (JP) | 1987-11-04 | — | — | EP | disclosed |