Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | CES1 | P23141 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.44 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.43 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.43 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.43 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.43 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.42 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.41 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.41 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL38661561 | 0.89 | PARK7 (0.52) | CES1MEN1KMT2APARK7CACNA1G | |
| SCHEMBL38661427 | 0.77 | ALDH1A1 (0.44) | TP53MEN1KMT2APARK7MAPT | |
| SCHEMBL8231306 | 0.74 | CES2 (0.42) | CES2BCHECES1TP53MEN1 | |
| SCHEMBL29385257 | 0.72 | MEN1 (0.61) | CES1MEN1KMT2ACACNA1GCACNA1H | |
| SCHEMBL4597182 | 0.71 | SCN9A (0.64) | TP53KMT2ASCN9ATSHRGSK3B | |
| SCHEMBL6825068 | 0.71 | CACNA1G (0.55) | CES1MEN1KMT2ACACNA1GCACNA1H | |
| SCHEMBL29384368 | 0.71 | GSK3B (0.54) | TP53MEN1KMT2ACACNA1GCACNA1H | |
| SCHEMBL14866037 | 0.70 | TP53 (0.58) | CES2BCHECES1TP53MEN1 | |
| SCHEMBL12297902 | 0.70 | MEN1 (0.49) | CES1MEN1KMT2ACACNA1GCACNA1H | |
| SCHEMBL7473291 | 0.68 | TSHR (0.54) | CES2BCHECES1TP53MEN1 |
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-104829608-B | A kind of cumarin thiazole indolone type compound and its preparation method and purposes | 吉首大学 | 2017-06-30 | — | — | CN | disclosed |