Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10817896 | 0.93 | ALDH1A1 (0.48) | ALDH1A1KDM4EMAPTRAB9ABRD4 | |
| SCHEMBL9691606 | 0.93 | KDM4E (0.52) | ALDH1A1KDM4EMAPTRAB9ABRD4 | |
| SCHEMBL9691203 | 0.91 | ALDH1A1 (0.45) | ALDH1A1KDM4EMAPTRAB9AGAA | |
| SCHEMBL9689646 | 0.91 | KDM4E (0.47) | ALDH1A1KDM4EMAPTRAB9AGAA | |
| SCHEMBL9690857 | 0.91 | KDM4E (0.51) | ALDH1A1KDM4EMAPTRAB9AGAA | |
| SCHEMBL9689484 | 0.90 | KDM4E (0.46) | ALDH1A1KDM4EMAPTRAB9ABRD4 | |
| SCHEMBL9691697 | 0.90 | ALDH1A1 (0.47) | ALDH1A1KDM4EMAPTRAB9AGAA | |
| SCHEMBL9691438 | 0.89 | ALDH1A1 (0.45) | ALDH1A1KDM4EMAPTRAB9ABRD4 | |
| SCHEMBL9691280 | 0.89 | ALDH1A1 (0.45) | ALDH1A1KDM4EMAPTRAB9AGAA | |
| SCHEMBL11013048 | 0.88 | KDM4E (0.60) | ALDH1A1KDM4EMAPTGAAPOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0071819-B2 | DIHYDROPYRIDINES WITH A POSITIVE INOTROPIC ACTIVITY, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESSES FOR THEIR PREPARATION | BAYER AG (DE) | 1992-06-10 | — | — | EP | disclosed |
| EP-0071819-B1 | DIHYDROPYRIDINES WITH A POSITIVE INOTROPIC ACTIVITY, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESSES FOR THEIR PREPARATION | BAYER AG (DE) | 1987-04-22 | — | — | EP | disclosed |
| EP-0071819-A1 | Dihydropyridines with a positive inotropic activity, their use in pharmaceutical preparations, and processes for their preparation | BAYER AG (DE) | 1983-02-16 | — | — | EP | disclosed |