Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Cyclohexane. 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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.39 |
| ▸ | PPARG | P37231 | 7/20 | 0.39 |
| ▸ | PPARD | Q03181 | 7/20 | 0.39 |
| ▸ | PPARA | Q07869 | 7/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TLR2 | O60603 | 2/20 | 0.39 |
| ▸ | FABP4 | P15090 | 2/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
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 SCHEMBL148822 | 0.91 | CES2 (0.48) | CES2AKR1B1TDP1MEN1KMT2A | |
| Heptane SCHEMBL15662959 | 0.88 | CES2 (0.52) | CES2AKR1B1TDP1MEN1KMT2A | |
| Hexane SCHEMBL9706708 | 0.88 | CES2 (0.46) | CES2AKR1B1TDP1MEN1KMT2A | |
| Hexane SCHEMBL5754743 | 0.83 | CES2 (0.50) | CES2AKR1B1TDP1MEN1KMT2A | |
| Cyclohexane SCHEMBL10689322 | 0.83 | TSHR (0.44) | TDP1MEN1KMT2AL3MBTL1TSHR | |
| Octane SCHEMBL29221340 | 0.80 | CES2 (0.54) | CES2TDP1MEN1KMT2AGPR84 | |
| Hexane SCHEMBL28126978 | 0.80 | CES2 (0.41) | CES2AKR1B1TDP1MEN1KMT2A | |
| Cetyl Alcohol SCHEMBL28004169 | 0.80 | TSHR (0.56) | CES2TDP1MEN1KMT2AGPR84 | |
| Ether SCHEMBL28860809 | 0.80 | DNM1 (0.50) | CES2AKR1B1MEN1KMT2ATSHR | |
| Hexane SCHEMBL438349 | 0.80 | ALDH1A1 (0.61) | CES2AKR1B1TDP1MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2976407-A1 | AMIDE BRANCHED AROMATIC GELLING AGENTS | Synoil Fluids Holdings Inc. (CA) | 2016-01-27 | — | — | EP | disclosed |
| WO-2014146191-A1 | AMIDE BRANCHED AROMATIC GELLING AGENTS | SYNOIL FLUIDS HOLDINGS INC. (CA) | 2014-09-25 | — | — | WO | disclosed |