Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 2/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL15077436 | 0.81 | TSHR (0.43) | CA1CA2CA9SIGMAR1IDO1 | |
| SCHEMBL31059717 | 0.81 | TSHR (0.43) | CA1CA2CA9SIGMAR1IDO1 | |
| SCHEMBL11589791 | 0.80 | TAAR1 (0.35) | FAAH | |
| SCHEMBL17581929 | 0.79 | SIGMAR1 (0.44) | CA1CA2CA9SIGMAR1IDO1 | |
| SCHEMBL4449191 | 0.78 | CA1 (0.44) | CA1CA2CA9SIGMAR1IDO1 | |
| SCHEMBL92354 | 0.78 | CA1 (0.44) | CA1CA2CA9SIGMAR1IDO1 | |
| SCHEMBL3959570 | 0.75 | CA1 (0.41) | CA1CA2CA9SIGMAR1IDO1 | |
| SCHEMBL10228461 | 0.75 | CA1 (0.41) | CA1CA2CA9SIGMAR1IDO1 | |
| SCHEMBL22762259 | 0.75 | ALDH1A1 (0.44) | CA1CA2CA9SIGMAR1IDO1 | |
| SCHEMBL94896 | 0.75 | CA1 (0.46) | CA1CA2CA9HCAR2SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0049120-B1 | PHENETHYLETHER DERIVATIVES, PROCESS FOR PREPARING SAME AND USES THEREOF IN COMBATTING TOBACCO BEETLES AND IN AUGMENTING OR ENHANCING THE AROMA OF PERFUMES, COLOGNES AND PERFUMED ARTICLES | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1985-01-16 | — | — | EP | disclosed |
| US-4357319-A | INSECTICIDES, ATTRACTANTS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-11-02 | — | — | US | disclosed |
| US-4328206-A | Method of attracting and destroying tobacco beetles with alkyl phenethylethers | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-05-04 | — | — | US | disclosed |
| EP-0049120-A1 | Phenethylether derivatives, process for preparing same and uses thereof in combatting tobacco beetles and in augmenting or enhancing the aroma of perfumes, colognes and perfumed articles | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-04-07 | — | — | EP | disclosed |