Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 3/20 | 0.47 |
| ▸ | CES1 | P23141 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | IAPP | P10997 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28358854 | 0.73 | KMT2A (0.73) | CES2CES1KMT2AMAPTALDH1A1 | |
| Toluene SCHEMBL27590967 | 0.73 | KMT2A (0.55) | CES2CES1KMT2AMAPTALDH1A1 | |
| Biphenyl SCHEMBL7778554 | 0.73 | KMT2A (0.61) | CES2CES1KMT2AMAPTALDH1A1 | |
| SCHEMBL25259291 | 0.72 | GAA (0.47) | CES2CES1KMT2AMAPTALDH1A1 | |
| SCHEMBL25262746 | 0.72 | GAA (0.47) | CES2CES1KMT2AMAPTALDH1A1 | |
| SCHEMBL25273425 | 0.72 | GAA (0.47) | CES2CES1KMT2AMAPTALDH1A1 | |
| SCHEMBL25260601 | 0.72 | GAA (0.47) | CES2CES1KMT2AMAPTALDH1A1 | |
| SCHEMBL25258554 | 0.72 | GAA (0.47) | CES2CES1KMT2AMAPTALDH1A1 | |
| Benzophenone SCHEMBL1808206 | 0.72 | CES2 (0.62) | CES2CES1KMT2AMAPTALDH1A1 | |
| Benzene SCHEMBL28356834 | 0.71 | KMT2A (0.77) | CES2CES1KMT2AMAPTALDH1A1 |
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-109535174-A | A kind of two sulphur pyrrolones of N- aryl-pyranone hybrid derivatives and its preparation method and application | 桂林医学院 | 2019-03-29 | — | — | CN | disclosed |