Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9748764 | 0.83 | TAAR1 (0.46) | POLBNR3C1 | |
| SCHEMBL11266328 | 0.77 | ALDH1A1 (0.66) | ALDH1A1NPSR1MEN1GMNNGABBR2 | |
| SCHEMBL7094520 | 0.76 | ALDH1A1 (0.59) | ALDH1A1NPSR1MEN1GMNNGABBR2 | |
| SCHEMBL5161078 | 0.74 | ALDH1A1 (0.38) | ALDH1A1NPSR1MEN1GMNNGABBR2 | |
| SCHEMBL9748234 | 0.74 | NR3C1 (0.37) | ALDH1A1NPSR1MEN1GMNNGABBR2 | |
| SCHEMBL9747633 | 0.70 | ALDH1A1 (0.39) | ALDH1A1NPSR1MEN1GMNNGABBR2 | |
| SCHEMBL16673269 | 0.69 | ESR1 (0.44) | ALDH1A1NPSR1MEN1GMNNGABBR2 | |
| SCHEMBL14882643 | 0.68 | ESR1 (0.40) | ALDH1A1NPSR1MEN1GMNNGABBR2 | |
| SCHEMBL19187400 | 0.68 | ALDH1A1 (0.50) | ALDH1A1NPSR1MEN1GMNNGABBR2 | |
| SCHEMBL9749827 | 0.68 | TACR1 (0.35) | ALDH1A1NPSR1PGK1PGK2HTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |