Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.67 |
| ▸ | HPGD | P15428 | 2/20 | 0.67 |
| ▸ | TP53 | P04637 | 2/20 | 0.67 |
| ▸ | MAPT | P10636 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | CACNA1B | Q00975 | 7/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.52 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.52 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.52 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL10475395 | 0.92 | ALDH1A1 (0.78) | ALDH1A1KDM4EHSD17B10HPGDTP53 | |
| SCHEMBL10475396 | 0.88 | CACNA1B (0.74) | ALDH1A1KDM4EHSD17B10HPGDTP53 | |
| SCHEMBL9064752 | 0.87 | ADORA3 (0.74) | ALDH1A1KDM4EHSD17B10HPGDTP53 | |
| SCHEMBL3022593 | 0.86 | ADORA3 (0.59) | ALDH1A1KDM4EHSD17B10HPGDMEN1 | |
| SCHEMBL24469031 | 0.85 | ALDH1A1 (0.68) | ALDH1A1KDM4EHSD17B10HPGDTP53 | |
| SCHEMBL9502874 | 0.82 | CACNA1B (0.58) | CACNA1BADORA3CACNA1DCACNA1FCACNA1S | |
| SCHEMBL4935843 | 0.81 | KDM4E (0.82) | ALDH1A1KDM4EHSD17B10HPGDTP53 | |
| SCHEMBL9504224 | 0.81 | KDM4E (0.61) | ALDH1A1KDM4EHSD17B10HPGDTP53 | |
| SCHEMBL4624081 | 0.80 | TP53 (0.62) | ALDH1A1KDM4EHSD17B10HPGDTP53 | |
| SCHEMBL3027621 | 0.79 | KDM4E (0.79) | ALDH1A1KDM4EHSD17B10HPGDTP53 |
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-0458823-B1 | A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1993-10-13 | — | — | EP | disclosed |
| US-5245039-A | PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES | BOEHRINGER MANNHEIM ITALIA (IT) | 1993-09-14 | — | — | US | disclosed |