Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | ABCC9 | O60706 | 3/20 | 0.47 |
| ▸ | ABCC8 | Q09428 | 3/20 | 0.47 |
| ▸ | KCNJ11 | Q14654 | 3/20 | 0.47 |
| ▸ | KCNJ8 | Q15842 | 3/20 | 0.47 |
| ▸ | AR | P10275 | 4/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.43 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8518923 | 0.84 | ALDH1A1 (0.55) | ALDH1A1ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL7515733 | 0.80 | ABCC9 (0.68) | ABCC9ABCC8KCNJ11KCNJ8PDK1 | |
| SCHEMBL8519769 | 0.77 | ALDH1A1 (0.54) | ALDH1A1ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL8519617 | 0.76 | ALDH1A1 (0.57) | ALDH1A1ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL14087515 | 0.74 | ALDH1A1 (0.55) | ALDH1A1AR | |
| SCHEMBL8983980 | 0.74 | ALDH1A1 (0.70) | ALDH1A1ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL10984365 | 0.74 | AR (0.54) | ARCYP2C19 | |
| SCHEMBL8351343 | 0.73 | ALDH1A1 (0.79) | ALDH1A1CYP2C19 | |
| SCHEMBL10976571 | 0.71 | AR (0.69) | ALDH1A1ARCYP2C19 | |
| SCHEMBL11226270 | 0.71 | ALDH1A1 (0.43) | ALDH1A1ABCC9ABCC8KCNJ11KCNJ8 |
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-0002892-B1 | AMIDE DERIVATIVES, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL OR VETERINARY COMPOSITIONS CONTAINING THEM | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-02-06 | — | — | EP | disclosed |
| US-4191775-A | ANTIANDROGENIC | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1980-03-04 | — | — | US | disclosed |
| EP-0002892-A1 | Amide derivatives, process for their manufacture and pharmaceutical or veterinary compositions containing them | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1979-07-11 | — | — | EP | disclosed |