Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.72 |
| ▸ | CA2 | P00918 | 3/20 | 0.72 |
| ▸ | CA7 | P43166 | 2/20 | 0.72 |
| ▸ | CA9 | Q16790 | 2/20 | 0.72 |
| ▸ | CA12 | O43570 | 1/20 | 0.72 |
| ▸ | CA4 | P22748 | 1/20 | 0.72 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.72 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.52 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.50 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.50 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
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 SCHEMBL27631281 | 0.92 | CA1 (0.68) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL27532746 | 0.89 | CA1 (0.72) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL27891985 | 0.85 | CA1 (0.87) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL7895992 | 0.85 | CA1 (0.87) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL29351917 | 0.85 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL105872 | 0.85 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL5308636 | 0.85 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL8501748 | 0.82 | CA1 (0.81) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL11638262 | 0.82 | CA1 (0.81) | CA1CA2CA7CA9CA12 | |
| SCHEMBL2405150 | 0.82 | CA1 (0.62) | CA1CA2CA7CA9CA12 |
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-113322057-A | Adsorption inhibitor, preparation method and application thereof | 中国石油化工股份有限公司 | 2021-08-31 | — | — | CN | claimed |