Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.70 |
| ▸ | LMNA | P02545 | 1/20 | 0.70 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.70 |
| ▸ | MGAM | O43451 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | SI | P14410 | 2/20 | 0.46 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL8527344 | 0.92 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10MGAMGAA | |
| Ethyl Acetate SCHEMBL15636011 | 0.92 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10MGAMGAA | |
| Ethyl Acetate SCHEMBL2141424 | 0.92 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10MGAMGAA | |
| Ethyl Acetate SCHEMBL14743913 | 0.92 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10MGAMGAA | |
| Ethyl Acetate SCHEMBL5971339 | 0.92 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10MGAMGAA | |
| Ethyl Acetate SCHEMBL58573 | 0.92 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10MGAMGAA | |
| Ethyl Acetate SCHEMBL5524851 | 0.92 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10MGAMGAA | |
| Ethyl Acetate SCHEMBL12987398 | 0.92 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10MGAMGAA | |
| Ethyl Acetate SCHEMBL1469827 | 0.92 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10MGAMGAA | |
| Ethyl Acetate SCHEMBL4682323 | 0.92 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10MGAMGAA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0682009-B1 | Intermediate compounds for preparing endothelin-receptor antagonist triterpene derivatives | SHIONOGI & CO (JP) | 1998-05-06 | — | — | EP | disclosed |
| US-5587505-A | Triterpene derivatives and endothelin-receptor antagonists containing the same | SHIONOGI & CO., LTD. (JP) | 1996-12-24 | — | — | US | disclosed |
| EP-0628569-B1 | Triterpene derivatives and endothelin-receptor antagonists containing the same | SHIONOGI & CO (JP) | 1996-09-11 | — | — | EP | disclosed |
| EP-0682009-A2 | Intermediate compounds for preparing endothelin-receptor antagonist triterpene derivatives | SHIONOGI & CO., LTD. (JP) | 1995-11-15 | — | — | EP | disclosed |
| US-5463107-A | Useful in prophylaxis and treatment of diseases caused by excessive secretion of endothelin | SHIONOGI & CO., LTD. (JP) | 1995-10-31 | — | — | US | disclosed |
| EP-0628569-A1 | Triterpene derivatives and endothelin-receptor antagonists containing the same | SHIONOGI & CO., LTD. (JP) | 1994-12-14 | — | — | EP | disclosed |