Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9364248 | 0.92 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1HTTKDM4EGAA | |
| SCHEMBL8984936 | 0.90 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1HTTKDM4EGAA | |
| SCHEMBL9364528 | 0.88 | NPSR1 (0.45) | HSP90AA1HSP90AB1HTTKDM4EGAA | |
| SCHEMBL7428174 | 0.84 | HSP90AA1 (0.43) | HSP90AA1HSP90AB1HTTKDM4EGAA | |
| SCHEMBL9364254 | 0.84 | HSP90AA1 (0.40) | HSP90AA1HSP90AB1HTTKDM4EGAA | |
| SCHEMBL9363808 | 0.84 | HSP90AA1 (0.42) | HSP90AA1HSP90AB1HTTKDM4EGAA | |
| SCHEMBL9364256 | 0.82 | KDM4E (0.44) | HSP90AA1HSP90AB1KDM4EGAAALDH1A1 | |
| SCHEMBL9364532 | 0.82 | POLB (0.43) | HSP90AA1HSP90AB1HTTKDM4EGAA | |
| SCHEMBL9364057 | 0.82 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1HTTKDM4EGAA | |
| SCHEMBL9363819 | 0.81 | KDM4E (0.42) | KDM4EGAAALDH1A1POLBMAPK1 |
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 |