Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | CA1 | P00915 | 1/20 | 0.64 |
| ▸ | CA2 | P00918 | 1/20 | 0.64 |
| ▸ | CA7 | P43166 | 1/20 | 0.64 |
| ▸ | CA9 | Q16790 | 1/20 | 0.64 |
| ▸ | CA4 | P22748 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.56 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.56 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.56 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.56 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.56 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.56 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| 1,3-Dimethoxybenzene SCHEMBL901285 | 0.97 | ACHE (0.70) | ACHEALDH1A1CYP3A4CA1CA2 | |
| 1,3-Dimethoxybenzene SCHEMBL9350 | 0.97 | ACHE (0.70) | ACHEALDH1A1CYP3A4CA1CA2 | |
| 1,3-Dimethoxybenzene SCHEMBL27850020 | 0.94 | ACHE (0.67) | ACHEALDH1A1CYP3A4CA1CA2 | |
| 1,3-Dimethoxybenzene SCHEMBL7860661 | 0.94 | ACHE (0.67) | ACHEALDH1A1CYP3A4CA1CA2 | |
| 1,3-Dimethoxybenzene SCHEMBL28262290 | 0.94 | ACHE (0.67) | ACHEALDH1A1CYP3A4CA1CA2 | |
| 1,3-Dimethoxybenzene SCHEMBL28542304 | 0.94 | ACHE (0.67) | ACHEALDH1A1CYP3A4CA1CA2 | |
| 1,3-Dimethoxybenzene SCHEMBL28135915 | 0.94 | ACHE (0.67) | ACHEALDH1A1CYP3A4CA1CA2 | |
| 1,3-Dimethoxybenzene SCHEMBL28343465 | 0.94 | ACHE (0.67) | ACHEALDH1A1CYP3A4CA1CA2 | |
| 1,3-Dimethoxybenzene SCHEMBL15870025 | 0.94 | ACHE (0.67) | ACHEALDH1A1CYP3A4CA1CA2 | |
| 1,3-Dimethoxybenzene SCHEMBL17824349 | 0.94 | ACHE (0.67) | ACHEALDH1A1CYP3A4CA1CA2 |
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-105753672-A | Synthesis method for 3,5-dimethyl benzaldehyde | 常州大学 | 2016-07-13 | — | — | CN | claimed |
| CN-105753672-A | Synthesis method for 3,5-dimethyl benzaldehyde | 常州大学 | 2016-07-13 | — | — | CN | disclosed |