Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17629237 | 1.00 | CYP1A2 (0.31) | CYP1A2 | |
| SCHEMBL17629236 | 1.00 | CYP1A2 (0.31) | CYP1A2 | |
| SCHEMBL19451853 | 0.88 | — | — | |
| SCHEMBL29414515 | 0.80 | — | — | |
| SCHEMBL17859726 | 0.79 | — | — | |
| SCHEMBL15663254 | 0.77 | EPHX1 (0.44) | CYP1A2 | |
| SCHEMBL140451 | 0.74 | — | — | |
| SCHEMBL2349153 | 0.74 | — | — | |
| SCHEMBL2348175 | 0.74 | — | — | |
| SCHEMBL111930 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3197987-A1 | USE OF ISOMERICALLY PURE OR HIGHLY ISOMER-ENRICHED CIS- OR TRANS-(2-ISOBUTYL-4-METHYL-TETRAHYDROPYRAN-4-YL)ACETATE | BASF SE (DE) | 2017-08-02 | — | — | EP | claimed |
| WO-2016046360-A1 | USE OF ISOMERICALLY PURE OR HIGHLY ISOMER-ENRICHED CIS- OR TRANS-(2-ISOBUTYL-4-METHYL-TETRAHYDROPYRAN-4-YL)ACETATE | BASF SE (DE) | 2016-03-31 | — | — | WO | claimed |
| EP-3197987-B1 | USE OF ISOMERICALLY PURE OR HIGHLY ISOMERICALLY ENRICHED CIS- OR TRANS- (2-ISOBUTYL-4-METHYL-TETRAHYDROPYRAN-4-YL) ACETATE | BASF SE (DE) | 2019-01-23 | — | — | EP | disclosed |
| EP-3197987-A1 | USE OF ISOMERICALLY PURE OR HIGHLY ISOMER-ENRICHED CIS- OR TRANS-(2-ISOBUTYL-4-METHYL-TETRAHYDROPYRAN-4-YL)ACETATE | BASF SE (DE) | 2017-08-02 | — | — | EP | disclosed |
| WO-2016046360-A1 | USE OF ISOMERICALLY PURE OR HIGHLY ISOMER-ENRICHED CIS- OR TRANS-(2-ISOBUTYL-4-METHYL-TETRAHYDROPYRAN-4-YL)ACETATE | BASF SE (DE) | 2016-03-31 | — | — | WO | disclosed |