Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | CACNA1C | Q13936 | 11/20 | 0.49 |
| ▸ | CACNA1F | O60840 | 10/20 | 0.49 |
| ▸ | CACNA1D | Q01668 | 10/20 | 0.49 |
| ▸ | CACNA1S | Q13698 | 10/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11006991 | 0.91 | ALDH1A1 (0.57) | ALDH1A1KDM4ECACNA1CCACNA1FCACNA1D | |
| SCHEMBL11008399 | 0.91 | ALDH1A1 (0.46) | ALDH1A1KDM4ECACNA1CADORA3MEN1 | |
| SCHEMBL11008396 | 0.91 | ALDH1A1 (0.46) | ALDH1A1KDM4ECACNA1CADORA3MEN1 | |
| SCHEMBL9689611 | 0.89 | ALDH1A1 (0.43) | ALDH1A1KDM4ECACNA1CCACNA1FCACNA1D | |
| SCHEMBL11007725 | 0.89 | KDM4E (0.59) | ALDH1A1KDM4EADORA3MEN1KMT2A | |
| SCHEMBL8803276 | 0.88 | KDM4E (0.67) | ALDH1A1KDM4EADORA3MEN1KMT2A | |
| SCHEMBL8602349 | 0.88 | KDM4E (0.67) | ALDH1A1KDM4EADORA3MEN1KMT2A | |
| SCHEMBL11005127 | 0.84 | KDM4E (0.62) | ALDH1A1KDM4EMAPTLMNAPOLB | |
| SCHEMBL11005169 | 0.84 | KDM4E (0.58) | ALDH1A1KDM4ECACNA1CCACNA1FCACNA1D | |
| SCHEMBL11007569 | 0.84 | KDM4E (0.59) | ALDH1A1KDM4EMAPTCYP2C9CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4532248-A | Administering 1,4-dihydropyridine derivative exhibiting positive inotropic activity | BAYER AKTIENGESELLSCHAFT (DE) | 1985-07-30 | — | — | US | disclosed |