Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 13/20 | 0.74 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.73 |
| ▸ | TP53 | P04637 | 1/20 | 0.73 |
| ▸ | HPGD | P15428 | 1/20 | 0.73 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.73 |
| ▸ | MAPT | P10636 | 3/20 | 0.65 |
| ▸ | MEN1 | O00255 | 2/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.65 |
| ▸ | GAA | P10253 | 1/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | CA1 | P00915 | 1/20 | 0.63 |
| ▸ | CA2 | P00918 | 1/20 | 0.63 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.61 |
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 | 0.96 | ALDH1A1 (0.78) | CACNA1BKDM4EALDH1A1TP53HPGD | |
| SCHEMBL9064752 | 0.91 | ADORA3 (0.74) | CACNA1BKDM4EALDH1A1TP53HPGD | |
| SCHEMBL24469031 | 0.89 | ALDH1A1 (0.68) | CACNA1BKDM4EALDH1A1TP53HPGD | |
| SCHEMBL9505249 | 0.88 | ALDH1A1 (0.67) | CACNA1BKDM4EALDH1A1TP53HPGD | |
| SCHEMBL9505256 | 0.85 | CACNA1B (0.75) | CACNA1BADORA3 | |
| SCHEMBL4935843 | 0.85 | KDM4E (0.82) | CACNA1BKDM4EALDH1A1TP53HPGD | |
| SCHEMBL29173863 | 0.85 | ADORA3 (0.82) | CACNA1BKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL5854934 | 0.85 | CACNA1B (1.00) | CACNA1B | |
| SCHEMBL5854929 | 0.85 | CACNA1B (1.00) | CACNA1B | |
| SCHEMBL7417834 | 0.84 | CACNA1B (0.78) | CACNA1BMAPTMEN1KMT2ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-1990009376-A1 | A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1990-08-23 | — | — | WO | disclosed |