Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Hexane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.65 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.61 |
| ▸ | PPARG | P37231 | 7/20 | 0.61 |
| ▸ | PPARD | Q03181 | 7/20 | 0.61 |
| ▸ | PPARA | Q07869 | 7/20 | 0.61 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.61 |
| ▸ | TSHR | P16473 | 5/20 | 0.61 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | TLR2 | O60603 | 2/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.61 |
| ▸ | FABP4 | P15090 | 2/20 | 0.61 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.61 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | ESR1 | P03372 | 1/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | PDE4A | P27815 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL9670901 | 1.00 | AKR1B1 (0.65) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexane SCHEMBL28959795 | 1.00 | AKR1B1 (0.65) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexane SCHEMBL7735018 | 1.00 | AKR1B1 (0.65) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexane SCHEMBL16684683 | 1.00 | AKR1B1 (0.65) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexadecane SCHEMBL25216545 | 0.96 | GPR84 (0.67) | AKR1B1GPR84PPARGPPARDPPARA | |
| Undecane SCHEMBL9545965 | 0.96 | GPR84 (0.67) | AKR1B1GPR84PPARGPPARDPPARA | |
| Octane SCHEMBL20576382 | 0.96 | GPR84 (0.67) | AKR1B1GPR84PPARGPPARDPPARA | |
| Undecane SCHEMBL20678412 | 0.96 | GPR84 (0.67) | AKR1B1GPR84PPARGPPARDPPARA | |
| Bicarbonate SCHEMBL3415308 | 0.96 | GPR84 (0.67) | AKR1B1GPR84PPARGPPARDPPARA | |
| Bicarbonate SCHEMBL5273883 | 0.96 | GPR84 (0.67) | AKR1B1GPR84PPARGPPARDPPARA |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110651383-B | Separator without separator substrate and electrochemical device comprising same | 株式会社LG新能源 | 2022-11-29 | — | — | CN | disclosed |
| CN-115124945-A | (meth) acrylic pressure-sensitive adhesive film and display member comprising same | 三星SDI株式会社 | 2022-09-30 | — | — | CN | disclosed |
| CN-115124946-A | (meth) acrylic pressure-sensitive adhesive film and display member comprising same | 三星SDI株式会社 | 2022-09-30 | — | — | CN | disclosed |
| CN-105567109-B | Adhesive film and display member including the same | 三星SDI株式会社 | 2022-07-15 | — | — | CN | disclosed |
| CN-113980586-A | Adhesive film and display member including the same | 三星SDI株式会社 | 2022-01-28 | — | — | CN | disclosed |
| CN-113166599-A | Porous adhesive film, optical element comprising same, and optical display device comprising same | 三星SDI株式会社 | 2021-07-23 | — | — | CN | disclosed |
| US-6407072-B1 | PROTEIN KINASE C INHIBITOR | FIDIA S.P.A. (IT) | 2002-06-18 | — | — | US | disclosed |
| US-5792858-A | ACYLATING LYSOSPHINGOLIPIDS AND THEIR DERIVATIVES WITH AN ALIPHATIC ACID HAVING 2 TO 24 CARBON ATOMS, SUBSTITUTED BY ONE OR MORE POLAR GROUPS; PROTEIN-KINASE INHIBITOR, USEFUL FOR NERVOUS SYSTEM DISORDER TREATMENT | FIDIA S.P.A. (IT) | 1998-08-11 | — | — | US | disclosed |
| EP-0373038-B1 | New lysosphingolipid derivatives | FIDIA SPA (IT) | 1997-03-05 | — | — | EP | disclosed |
| US-5519007-A | ENZYME INHIBITORS OF KINASES FOR NERVOUS SYSTEM INHIBITORS | FIDIA, S.P.A. (IT) | 1996-05-21 | — | — | US | disclosed |
| EP-0373039-B1 | New lysoganglioside derivatives | FIDIA SPA (IT) | 1994-04-06 | — | — | EP | disclosed |
| EP-0373039-A2 | New lysoganglioside derivatives | FIDIA S.p.A. (IT) | 1990-06-13 | — | — | EP | disclosed |
| EP-0373038-A2 | New lysosphingolipid derivatives | FIDIA S.p.A. (IT) | 1990-06-13 | — | — | EP | disclosed |