Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.93 |
| ▸ | CA2 | P00918 | 3/20 | 0.93 |
| ▸ | CA7 | P43166 | 2/20 | 0.93 |
| ▸ | CA9 | Q16790 | 2/20 | 0.93 |
| ▸ | CA12 | O43570 | 1/20 | 0.93 |
| ▸ | CA4 | P22748 | 1/20 | 0.93 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.93 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.65 |
| ▸ | HTT | P42858 | 2/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.60 |
| ▸ | TP53 | P04637 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.60 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.60 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.55 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.52 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.52 |
| ▸ | ORAI3 | Q9BRQ5 | 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 SCHEMBL29351917 | 0.96 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL5308636 | 0.96 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL105872 | 0.96 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL9793057 | 0.93 | CA1 (0.93) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL29229370 | 0.93 | CA1 (0.93) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL28602492 | 0.93 | CA1 (0.93) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL28239483 | 0.93 | CA1 (0.93) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL28052424 | 0.93 | CA1 (0.93) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL27996309 | 0.93 | CA1 (0.93) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL27405497 | 0.93 | CA1 (0.93) | 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-105753672-A | Synthesis method for 3,5-dimethyl benzaldehyde | 常州大学 | 2016-07-13 | — | — | CN | disclosed |