Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | BRDT | Q58F21 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9691684 | 0.97 | ALDH1A1 (0.47) | ALDH1A1KDM4ELMNABRD4BRDT | |
| SCHEMBL9691846 | 0.95 | ALDH1A1 (0.42) | ALDH1A1KDM4ELMNABRD4BRDT | |
| SCHEMBL9691221 | 0.92 | ALDH1A1 (0.43) | ALDH1A1KDM4ELMNABRD4BRDT | |
| SCHEMBL9691606 | 0.91 | KDM4E (0.52) | ALDH1A1KDM4ELMNABRD4BRDT | |
| SCHEMBL9691215 | 0.89 | ALDH1A1 (0.41) | ALDH1A1KDM4ELMNAMAPTGAA | |
| SCHEMBL11008383 | 0.89 | ALDH1A1 (0.55) | ALDH1A1KDM4ELMNAMAPTGAA | |
| SCHEMBL9691205 | 0.89 | ALDH1A1 (0.41) | ALDH1A1KDM4ELMNABRD4BRDT | |
| SCHEMBL9689614 | 0.88 | ALDH1A1 (0.46) | ALDH1A1KDM4ELMNABRD4BRDT | |
| SCHEMBL9691854 | 0.87 | ALDH1A1 (0.39) | ALDH1A1KDM4ELMNABRD4BRDT | |
| SCHEMBL10815724 | 0.86 | KDM4E (0.48) | ALDH1A1KDM4ELMNABRD4BRDT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0071819-B2 | DIHYDROPYRIDINES WITH A POSITIVE INOTROPIC ACTIVITY, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESSES FOR THEIR PREPARATION | BAYER AG (DE) | 1992-06-10 | — | — | EP | disclosed |
| EP-0071819-A1 | Dihydropyridines with a positive inotropic activity, their use in pharmaceutical preparations, and processes for their preparation | BAYER AG (DE) | 1983-02-16 | — | — | EP | disclosed |