Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | PGK1 | P00558 | 1/20 | 0.39 |
| ▸ | PGK2 | P07205 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1697989 | 0.82 | MEN1 (0.46) | ALDH1A1MAPTNPSR1TSHRCYP3A4 | |
| SCHEMBL29845719 | 0.82 | MEN1 (0.46) | ALDH1A1MAPTNPSR1TSHRCYP3A4 | |
| SCHEMBL1216706 | 0.80 | TSHR (0.47) | ALDH1A1MAPTNPSR1TSHRCYP3A4 | |
| SCHEMBL8955160 | 0.79 | CYP1A2 (0.66) | ALDH1A1MAPTNPSR1TSHRCYP3A4 | |
| SCHEMBL27928374 | 0.78 | MEN1 (0.42) | ALDH1A1MAPTNPSR1TSHRCYP3A4 | |
| SCHEMBL9749907 | 0.77 | CYP3A4 (0.37) | ALDH1A1MAPTNPSR1TSHRCYP3A4 | |
| SCHEMBL30834937 | 0.75 | ALDH1A1 (0.47) | ALDH1A1MAPTNPSR1TSHRCYP3A4 | |
| SCHEMBL29143186 | 0.75 | ALDH1A1 (0.47) | ALDH1A1MAPTNPSR1TSHRCYP3A4 | |
| SCHEMBL2372640 | 0.74 | ALDH1A1 (1.00) | ALDH1A1MAPTNPSR1TSHRCYP3A4 | |
| SCHEMBL11347606 | 0.73 | ALDH1A1 (0.81) | ALDH1A1MAPTNPSR1TSHRCYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101671240-B | Method for preparing 2,2-dimethyl-3-hydrocinnnamic aldehyde and derivative thereof | SHANGHAI INST TECHNOLOGY | 2013-06-19 | — | — | CN | disclosed |
| EP-0217159-B1 | ALDEHYDES, ACETALS, ALCOHOLS AND ETHERS WITH 3-METHYL OR 3,5-DIMETHYLBENZYL GROUPS, THEIR PREPARATION AND THEIR USE AS FRAGRANCE COMPOUNDS | Consortium für elektrochemische Industrie GmbH (DE) | 1992-01-02 | — | — | EP | disclosed |
| US-4710316-A | Aldehydes, acetals, alcohols and ethers having 3-methyl- or 3,5-dimethyl-benzyl groups, their manufacture and perfume materials containing same | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 1987-12-01 | — | — | US | disclosed |
| EP-0217159-A2 | Aldehydes, acetals, alcohols and ethers with 3-methyl or 3,5-dimethylbenzyl groups, their preparation and their use as fragrance compounds | Consortium für elektrochemische Industrie GmbH (DE) | 1987-04-08 | — | — | EP | disclosed |