Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 6/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | OGA | O60502 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9570648 | 0.75 | EDNRA (0.47) | EDNRACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5997086 | 0.70 | EDNRA (0.54) | EDNRACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL615460 | 0.70 | ALDH1A1 (0.50) | EDNRACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27567430 | 0.69 | ALDH1A1 (0.53) | EDNRACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27574222 | 0.69 | EDNRA (0.53) | EDNRACYP1A2CYP3A4CYP2D6CYP2C9 | |
| Methane SCHEMBL3112493 | 0.68 | EDNRA (0.49) | EDNRACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1744766 | 0.68 | ALDH1A1 (0.52) | CYP1A2CYP3A4MAPK1MAPTALDH1A1 | |
| SCHEMBL8927079 | 0.68 | SLC6A2 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9MAPK1 | |
| SCHEMBL6703303 | 0.67 | EDNRA (0.51) | EDNRACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4329257 | 0.67 | KMT2A (0.48) | EDNRACYP1A2CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0114374-A1 | Substituted 4-aminomethylene chromans or chromenes, process for their preparation and their use in medicines | BAYER AG (DE) | 1984-08-01 | — | — | EP | disclosed |