Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL4192259 | 0.86 | CYP1A2 (0.52) | CYP1A2MAPK1SMN1; SMN2NPC1ALDH1A1 | |
| Malonic Acid SCHEMBL3712526 | 0.86 | CYP1A2 (0.52) | CYP1A2MAPK1SMN1; SMN2ALDH1A1POLB | |
| Acetic Acid SCHEMBL4187445 | 0.84 | CYP1A2 (0.48) | CYP1A2MAPK1SMN1; SMN2NPC1ALDH1A1 | |
| Acetoacetic Acid SCHEMBL18261844 | 0.77 | KDM4E (0.48) | ALDH1A1KDM4ECYP2C19 | |
| Acetoacetic Acid SCHEMBL20594350 | 0.77 | KDM4E (0.48) | ALDH1A1KDM4ECYP2C19 | |
| SCHEMBL19172427 | 0.77 | KMT2A (0.56) | CYP1A2MAPK1SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL227313 | 0.77 | KMT2A (0.56) | CYP1A2MAPK1SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL14856230 | 0.77 | KMT2A (0.56) | CYP1A2MAPK1SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL7757481 | 0.77 | KMT2A (0.56) | CYP1A2MAPK1SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL8564 | 0.77 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0218996-A2 | Dihydropyridine derivative, a process for the production thereof and pharmaceutical compositions therefrom | YASON S.r.l (IT) | 1987-04-22 | — | — | EP | claimed |
| US-4826856-A | HYPOTENSIVE, ANTIISCHEMIC, ANTIARRHYTHMIA | YASON S.R.L. (IT) | 1989-05-02 | — | — | US | disclosed |
| US-4826856-A | HYPOTENSIVE, ANTIISCHEMIC, ANTIARRHYTHMIA | YASON S.R.L. (IT) | 1989-05-02 | — | — | US | disclosed |
| EP-0218996-A2 | Dihydropyridine derivative, a process for the production thereof and pharmaceutical compositions therefrom | YASON S.r.l (IT) | 1987-04-22 | — | — | EP | disclosed |
| EP-0218996-A2 | Dihydropyridine derivative, a process for the production thereof and pharmaceutical compositions therefrom | YASON S.r.l (IT) | 1987-04-22 | — | — | EP | disclosed |