Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Linalool. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 6/20 | 0.85 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.40 |
| ▸ | EPAS1 | Q99814 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | FNTA | P49354 | 3/20 | 0.33 |
| ▸ | FNTB | P49356 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| Linalool SCHEMBL28058609 | 0.98 | ALOX15 (0.81) | ALOX15HIF1AEPAS1KDM4EATM | |
| Linalool SCHEMBL1471881 | 0.96 | ALOX15 (0.85) | ALOX15HIF1AEPAS1KDM4EATM | |
| Linalool SCHEMBL28503155 | 0.96 | ALOX15 (0.85) | ALOX15HIF1AEPAS1KDM4EATM | |
| Linalool SCHEMBL14721882 | 0.94 | ALOX15 (0.96) | ALOX15HIF1AEPAS1KDM4EATM | |
| Linalool SCHEMBL28042246 | 0.92 | ALOX15 (0.92) | ALOX15HIF1AEPAS1KDM4EATM | |
| Linalool SCHEMBL254425 | 0.92 | ALOX15 (1.00) | ALOX15HIF1AEPAS1CYP3A4MEN1 | |
| Linalool (+) SCHEMBL901244 | 0.92 | ALOX15 (1.00) | ALOX15HIF1AEPAS1CYP3A4MEN1 | |
| Linalool SCHEMBL20316 | 0.92 | ALOX15 (1.00) | ALOX15HIF1AEPAS1CYP3A4MEN1 | |
| Linalool (+) SCHEMBL891312 | 0.92 | ALOX15 (1.00) | ALOX15HIF1AEPAS1CYP3A4MEN1 | |
| Linalool SCHEMBL988357 | 0.92 | ALOX15 (1.00) | ALOX15HIF1AEPAS1CYP3A4MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105801529-A | Preparation method for carbonic acid linalool oxide (pyran type and furan type) ester ethyl ester | 上海应用技术学院 | 2016-07-27 | — | — | CN | claimed |
| CN-105801529-B | A kind of preparation method of carbonic acid linalool oxide (pyranoid form and furan type) ester ethyl ester | 上海应用技术学院 | 2018-10-30 | — | — | CN | disclosed |
| CN-105801529-A | Preparation method for carbonic acid linalool oxide (pyran type and furan type) ester ethyl ester | 上海应用技术学院 | 2016-07-27 | — | — | CN | disclosed |