Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of 1,2-Dimethoxybenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.72 |
| ▸ | CA2 | P00918 | 4/20 | 0.72 |
| ▸ | CA12 | O43570 | 3/20 | 0.72 |
| ▸ | CA7 | P43166 | 3/20 | 0.72 |
| ▸ | CA9 | Q16790 | 3/20 | 0.72 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.72 |
| ▸ | CA4 | P22748 | 2/20 | 0.72 |
| ▸ | POLB | P06746 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | HTT | P42858 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | RXRA | P19793 | 1/20 | 0.53 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.52 |
| ▸ | CA6 | P23280 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| 1,2-Dimethoxybenzene SCHEMBL27470563 | 0.92 | CA1 (0.68) | CA1CA2CA12CA7CA9 | |
| 1,2-Dimethoxybenzene SCHEMBL28254682 | 0.90 | CA1 (0.65) | CA1CA2CA12CA7CA9 | |
| 1,2-Dimethoxybenzene SCHEMBL27898360 | 0.89 | CA1 (0.72) | CA1CA2CA12CA7CA9 | |
| 1,2-Dimethoxybenzene SCHEMBL28118612 | 0.89 | CA1 (0.72) | CA1CA2CA12CA7CA9 | |
| 1,2-Dimethoxybenzene SCHEMBL27452731 | 0.88 | CA1 (0.93) | CA1CA2CA12CA7CA9 | |
| SCHEMBL21540 | 0.85 | CA1 (0.59) | CA1CA2CA12CA7CA9 | |
| Guaiacol SCHEMBL21542 | 0.85 | CA1 (0.82) | CA1CA2CA12CA7CA9 | |
| SCHEMBL474081 | 0.85 | CA1 (0.59) | CA1CA2CA12CA7CA9 | |
| Bicarbonate SCHEMBL1976713 | 0.85 | CA1 (0.54) | CA1CA2CA12CA7CA9 | |
| 1,2-Dimethoxybenzene SCHEMBL27891985 | 0.85 | CA1 (0.87) | CA1CA2CA12CA7CA9 |
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-100475805-C | Method for synthesizing 3-methyl-7-,8-dihydroxyisochromanone-4 | UNIV CHINA PHARMA (CN) | 2009-04-08 | — | — | CN | disclosed |
| CN-101016289-A | Method of synthesizing 3-methyl-7-,8-dihydroxyisochromanone-4 | UNIV CHINA PHARMA (CN) | 2007-08-15 | — | — | CN | disclosed |