Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | CETP | P11597 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | CASR | P41180 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9749827 | 0.84 | TACR1 (0.35) | ALDH1A1TRPA1 | |
| SCHEMBL2965433 | 0.81 | TRPA1 (0.47) | TSHRTAAR1ACHECTBP2IDO1 | |
| SCHEMBL11040953 | 0.81 | TRPA1 (0.55) | TAAR1CYP2D6TRPA1 | |
| SCHEMBL28925136 | 0.80 | LNPEP (0.37) | TSHRTAAR1CTBP2POLB | |
| SCHEMBL9748823 | 0.76 | ACHE (0.44) | TAAR1ACHECTBP2IDO1ALDH1A1 | |
| SCHEMBL9748682 | 0.75 | TAAR1 (0.43) | TSHRTAAR1ACHECTBP2IDO1 | |
| SCHEMBL19001653 | 0.74 | ACHE (0.46) | TAAR1ACHEIDO1ALDH1A1CYP2D6 | |
| SCHEMBL9748764 | 0.73 | TAAR1 (0.46) | TAAR1ACHECTBP2IDO1NR3C1 | |
| SCHEMBL2259568 | 0.73 | ACHE (0.50) | TAAR1ACHECTBP2IDO1NR3C1 | |
| SCHEMBL809073 | 0.73 | ACHE (0.50) | TAAR1ACHECTBP2IDO1NR3C1 |
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 |