Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13685 | 0.83 | — | — | |
| SCHEMBL27459073 | 0.83 | TSHR (0.71) | ALDH1A1TSHRCES2CES1CA12 | |
| Acetic Acid SCHEMBL28858127 | 0.81 | TSHR (0.60) | ALDH1A1TSHRCES2CES1CA12 | |
| SCHEMBL31119221 | 0.81 | — | — | |
| SCHEMBL4449049 | 0.81 | — | — | |
| Ammonia Solution, Strong SCHEMBL5428299 | 0.81 | — | — | |
| SCHEMBL11241651 | 0.81 | TSHR (0.67) | ALDH1A1TSHRCES2CES1CA12 | |
| Hydrochloric Acid SCHEMBL1578829 | 0.81 | — | — | |
| SCHEMBL4652664 | 0.81 | — | — | |
| Methyl Alcohol SCHEMBL6829328 | 0.81 | — | — |
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-110331173-B | Application of phenylpyruvic acid decarboxylase mutant M538A in production of phenethyl alcohol through biological fermentation | 湖北大学 | 2020-07-17 | — | — | CN | disclosed |