Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.60 |
| ▸ | BCHE | P06276 | 2/20 | 0.60 |
| ▸ | CES2 | O00748 | 1/20 | 0.60 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | ALDH2 | P05091 | 3/20 | 0.47 |
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.47 |
| ▸ | ACHE | P22303 | 4/20 | 0.47 |
| ▸ | APAF1 | O14727 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL15215035 | 0.88 | ALDH1A1 (0.59) | CES1BCHECES2CHRM5CHRM1 | |
| SCHEMBL961634 | 0.87 | LMNA (0.53) | CES1BCHECES2CHRM5CHRM1 | |
| SCHEMBL29460878 | 0.83 | CASP3 (0.54) | CHRM5CHRM1CHRM3CA12CA1 | |
| SCHEMBL4739205 | 0.83 | CASP3 (0.54) | CHRM5CHRM1CHRM3CA12CA1 | |
| SCHEMBL3860379 | 0.79 | CA2 (0.56) | CES1CHRM5CHRM1CHRM3CA12 | |
| SCHEMBL3027106 | 0.75 | CES1 (1.00) | CES1BCHECES2CHRM5CHRM1 | |
| SCHEMBL30967408 | 0.74 | ALDH1A1 (0.61) | CES1BCHECES2CHRM5CHRM1 | |
| SCHEMBL281789 | 0.73 | CYP1B1 (0.55) | CES1BCHECHRM5CHRM1CHRM3 | |
| SCHEMBL23145007 | 0.73 | CES1 (0.38) | CES1BCHECHRM5CHRM1CHRM3 | |
| SCHEMBL29811809 | 0.73 | CES1 (0.38) | CES1BCHECHRM5CHRM1CHRM3 |
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 |