Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | ATP4A | P20648 | 1/20 | 0.50 |
| ▸ | ATP4B | P51164 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.49 |
| ▸ | MEN1 | O00255 | 6/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | GFER | P55789 | 2/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7271819 | 1.00 | ALDH1A1 (0.51) | ALDH1A1ATP4AATP4BKMT2AMEN1 | |
| SCHEMBL16402070 | 0.85 | MAPT (0.47) | ALDH1A1ATP4AATP4BKMT2AMEN1 | |
| SCHEMBL4573806 | 0.79 | ALDH1A1 (0.53) | ALDH1A1ATP4AATP4BKMT2AMEN1 | |
| SCHEMBL4573034 | 0.78 | ALDH1A1 (0.55) | ALDH1A1ATP4AATP4BKMT2AMEN1 | |
| SCHEMBL15401707 | 0.75 | PARP1 (0.49) | ALDH1A1ATP4AATP4BKMT2AMEN1 | |
| SCHEMBL15401706 | 0.75 | PARP1 (0.49) | ALDH1A1ATP4AATP4BKMT2AMEN1 | |
| SCHEMBL10622090 | 0.74 | ALDH1A1 (0.55) | ALDH1A1ATP4AATP4BKMT2AMEN1 | |
| SCHEMBL2224538 | 0.74 | ALDH1A1 (0.55) | ALDH1A1KMT2AMEN1MAPTLMNA | |
| SCHEMBL27660527 | 0.74 | ALDH1A1 (0.55) | ALDH1A1ATP4AATP4BKMT2AMEN1 | |
| SCHEMBL3698383 | 0.73 | MEN1 (0.45) | ALDH1A1ATP4AATP4BKMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4760147-A | Isopropyl 1,4-dihydro-2,6-dimethyl-4-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2 -yl)pyridine-5-carboxylate | CASSELLA AKTIENGESELLSCHAFT (DE) | 1988-07-26 | — | — | US | disclosed |
| EP-0172509-A2 | Process for the preparation of optically active, substituted 1,4-dihydropyridines and their use as medicaments | CASSELLA Aktiengesellschaft (DE) | 1986-02-26 | — | — | EP | disclosed |
| US-4558058-A | HYPOTENSIVE AGENTS | CASSELLA AKTIENGESELLSCHAFT (DE) | 1985-12-10 | — | — | US | disclosed |
| EP-0116708-A1 | Substituted 1,4-dihydropyridines, method for their preparation and their use as pharmaceuticals | CASSELLA Aktiengesellschaft (DE) | 1984-08-29 | — | — | EP | disclosed |