Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.55 |
| ▸ | PPARD | Q03181 | 1/20 | 0.55 |
| ▸ | PPARA | Q07869 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9585590 | 0.84 | PPARG (0.53) | PPARGPPARDPPARALMNAALDH1A1 | |
| Hydrochloric Acid SCHEMBL11341490 | 0.82 | PPARG (0.57) | PPARGPPARDPPARALMNAALDH1A1 | |
| SCHEMBL1967861 | 0.81 | PPARG (0.49) | PPARGPPARDPPARACYP3A4TSHR | |
| SCHEMBL19279505 | 0.78 | POLB (0.53) | PPARGPPARDPPARALMNAALDH1A1 | |
| SCHEMBL19279503 | 0.78 | POLB (0.53) | PPARGPPARDPPARALMNAALDH1A1 | |
| SCHEMBL12597533 | 0.78 | CA1 (0.55) | PPARGPPARDPPARALMNAALDH1A1 | |
| SCHEMBL9689517 | 0.78 | ALDH1A1 (0.50) | PPARGPPARDPPARALMNAALDH1A1 | |
| Hydrochloric Acid SCHEMBL5776514 | 0.78 | PPARG (0.50) | PPARGPPARDPPARALMNAALDH1A1 | |
| SCHEMBL11041312 | 0.77 | PKM (0.54) | PPARGPPARDPPARAALDH1A1MAPT | |
| SCHEMBL10426360 | 0.76 | PPARG (0.58) | PPARGPPARDPPARALMNAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104016886-B | A kind of N-1,2-bis-replaces ethyl valine amide carbamate derivatives and application | 南开大学 | 2016-06-15 | — | — | CN | disclosed |