Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | XBP1 | P17861 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9744612 | 0.86 | CACNA1C (0.56) | — | |
| SCHEMBL9744605 | 0.86 | CACNA1C (0.56) | — | |
| SCHEMBL9745862 | 0.83 | ADORA3 (0.49) | ADORA3KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL9744953 | 0.81 | ADORA3 (0.53) | ADORA3KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL9744949 | 0.81 | ADORA3 (0.53) | ADORA3KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL9744963 | 0.79 | ADORA3 (0.56) | ADORA3KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL9524206 | 0.77 | ADORA3 (0.67) | ADORA3KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL9524198 | 0.77 | ADORA3 (0.67) | ADORA3KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL7374095 | 0.73 | CACNA1C (0.60) | — | |
| SCHEMBL9744732 | 0.72 | CACNA1C (0.76) | ADORA3MEN1MAPTKMT2ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0215250-B1 | 2-SUBSTITUTED-1,4-DIHYDROPYRIDINES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1992-12-30 | — | — | EP | claimed |