Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 5/20 | 0.46 |
| ▸ | CA2 | P00918 | 5/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| Sulfuric Acid Dimethyl Ester SCHEMBL28658884 | 0.87 | ALOX12 (0.55) | GAAACHETDP1CA1CA2 | |
| SCHEMBL3884706 | 0.83 | CA2 (0.59) | GAAACHECA1CA2CA9 | |
| O-Xylene SCHEMBL28859202 | 0.78 | TSHR (0.53) | ACHETDP1CA1CA2CA9 | |
| Sulfuric Acid Dimethyl Ester SCHEMBL28170913 | 0.77 | USP2 (0.54) | CA1CA2CYP3A4TSHR | |
| Sulfuric Acid Dimethyl Ester SCHEMBL10001069 | 0.77 | — | — | |
| Sulfuric Acid Dimethyl Ester SCHEMBL1249 | 0.77 | — | — | |
| SCHEMBL778426 | 0.76 | TDP1 (0.59) | GAATDP1CA1CA2CA9 | |
| SCHEMBL27524 | 0.76 | GAA (0.56) | GAACA1CA2CA9CA12 | |
| SCHEMBL9901122 | 0.76 | GAA (0.56) | GAACA1CA2CA9CA12 | |
| Hydroquinone SCHEMBL27782761 | 0.74 | GAA (0.50) | GAAACHECA1CA2CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107954976-B | A method of synthesis 3,4- dimethoxy-thiophene | 贝利化学（张家港）有限公司 | 2019-05-31 | — | — | CN | disclosed |
| CN-107954976-A | A kind of method of synthesis 3,4- dimethoxy-thiophenes | 贝利化学（张家港）有限公司 | 2018-04-24 | — | — | CN | disclosed |