Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | LIPC | P11150 | 1/20 | 0.36 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.36 |
| ▸ | NOD2 | Q9HC29 | 3/20 | 0.35 |
| ▸ | NOD1 | Q9Y239 | 3/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9367612 | 0.94 | KDM4E (0.41) | KDM4EALDH1A1POLBGAAMAPK1 | |
| SCHEMBL9363990 | 0.91 | ALDH1A1 (0.47) | KDM4EALDH1A1POLBGAAMAPK1 | |
| SCHEMBL9364676 | 0.89 | KDM4E (0.53) | KDM4EALDH1A1POLBGAAMAPK1 | |
| SCHEMBL9363819 | 0.88 | KDM4E (0.42) | KDM4EALDH1A1POLBGAAMAPK1 | |
| SCHEMBL9364594 | 0.88 | KDM4E (0.42) | KDM4EALDH1A1POLBGAAMAPK1 | |
| SCHEMBL9363848 | 0.87 | KDM4E (0.46) | KDM4EALDH1A1POLBGAAMAPK1 | |
| SCHEMBL9364022 | 0.83 | KDM4E (0.41) | KDM4EALDH1A1POLBGAAMAPK1 | |
| SCHEMBL9364015 | 0.82 | HSP90AA1 (0.42) | KDM4EALDH1A1POLBGAAMAPK1 | |
| SCHEMBL9122411 | 0.82 | GAA (0.51) | KDM4EALDH1A1POLBGAAMAPK1 | |
| SCHEMBL9446688 | 0.79 | KDM4E (0.45) | KDM4EALDH1A1POLBGAAMAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0451654-B1 | Use of N-alkylated 1,4-dihydropyridine carboxylic acid esters as drugs, new compounds and process for their preparation | BAYER AG (DE) | 1994-09-07 | — | — | EP | claimed |
| EP-0451654-A2 | Use of N-alkylated 1,4-dihydropyridine carboxylic acid esters as drugs, new compounds and process for their preparation | BAYER AG (DE) | 1991-10-16 | — | — | EP | claimed |
| EP-0451654-B1 | Use of N-alkylated 1,4-dihydropyridine carboxylic acid esters as drugs, new compounds and process for their preparation | BAYER AG (DE) | 1994-09-07 | — | — | EP | disclosed |
| EP-0451654-A2 | Use of N-alkylated 1,4-dihydropyridine carboxylic acid esters as drugs, new compounds and process for their preparation | BAYER AG (DE) | 1991-10-16 | — | — | EP | disclosed |