Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | THPO | P40225 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10648966 | 0.92 | ALDH1A1 (0.56) | ALDH1A1KDM4ECYP2C9TSHRGAA | |
| SCHEMBL11008190 | 0.86 | KDM4E (0.67) | ALDH1A1KDM4ECYP2C9TSHRGAA | |
| SCHEMBL9690702 | 0.86 | KDM4E (0.53) | ALDH1A1KDM4ETSHRGAAMEN1 | |
| SCHEMBL9690787 | 0.86 | ALDH1A1 (0.58) | ALDH1A1KDM4ETSHRGAAMEN1 | |
| SCHEMBL10652934 | 0.85 | ALDH1A1 (0.51) | ALDH1A1KDM4ETSHRGAAKMT2A | |
| SCHEMBL9692020 | 0.85 | ALDH1A1 (0.57) | ALDH1A1KDM4ECYP2C9TSHRGAA | |
| SCHEMBL9839402 | 0.85 | ALDH1A1 (0.57) | ALDH1A1KDM4ETSHRGAAMEN1 | |
| SCHEMBL9689704 | 0.82 | KDM4E (0.57) | ALDH1A1KDM4ETP53CACNA1FCACNA1D | |
| SCHEMBL9691494 | 0.82 | ALDH1A1 (0.54) | ALDH1A1KDM4ETSHRGAAMEN1 | |
| SCHEMBL9689623 | 0.82 | ALDH1A1 (0.57) | ALDH1A1KDM4EGAAMEN1CYP1A2 |
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 2 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 |