Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11013048 | 0.91 | KDM4E (0.60) | KDM4EALDH1A1TSHRPOLBGAA | |
| SCHEMBL11005127 | 0.89 | KDM4E (0.62) | KDM4EALDH1A1TSHRPOLBGAA | |
| SCHEMBL8602349 | 0.89 | KDM4E (0.67) | KDM4EALDH1A1TSHRPOLBGAA | |
| SCHEMBL8803276 | 0.89 | KDM4E (0.67) | KDM4EALDH1A1TSHRPOLBGAA | |
| SCHEMBL9691203 | 0.89 | ALDH1A1 (0.45) | KDM4EALDH1A1TSHRPOLBGAA | |
| SCHEMBL11007725 | 0.88 | KDM4E (0.59) | KDM4EALDH1A1TSHRPOLBGAA | |
| SCHEMBL11008645 | 0.88 | KDM4E (0.61) | KDM4EALDH1A1TSHRPOLBGAA | |
| SCHEMBL11002577 | 0.88 | KDM4E (0.61) | KDM4EALDH1A1TSHRPOLBGAA | |
| SCHEMBL11008474 | 0.88 | KDM4E (0.57) | KDM4EALDH1A1TSHRPOLBGAA | |
| SCHEMBL11007569 | 0.87 | KDM4E (0.59) | KDM4EALDH1A1TSHRPOLBGAA |
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 |