Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hexadecane. 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 | 0.63 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.63 |
| ▸ | PPARG | P37231 | 7/20 | 0.63 |
| ▸ | PPARD | Q03181 | 7/20 | 0.63 |
| ▸ | PPARA | Q07869 | 7/20 | 0.63 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.63 |
| ▸ | TSHR | P16473 | 5/20 | 0.63 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | TLR2 | O60603 | 2/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.63 |
| ▸ | FABP4 | P15090 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.63 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.63 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.63 |
| ▸ | PDE4A | P27815 | 1/20 | 0.63 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| Dodecane SCHEMBL28390898 | 1.00 | GPR84 (0.63) | GPR84PPARGPPARDPPARAHDAC11 | |
| Octane SCHEMBL6663108 | 1.00 | GPR84 (0.63) | GPR84PPARGPPARDPPARAHDAC11 | |
| Heptane SCHEMBL16058605 | 1.00 | GPR84 (0.63) | GPR84PPARGPPARDPPARAHDAC11 | |
| Nonane SCHEMBL3968062 | 1.00 | GPR84 (0.63) | GPR84PPARGPPARDPPARAHDAC11 | |
| Dodecane SCHEMBL14718935 | 1.00 | GPR84 (0.63) | GPR84PPARGPPARDPPARAHDAC11 | |
| Nonane SCHEMBL23929397 | 1.00 | GPR84 (0.63) | GPR84PPARGPPARDPPARAHDAC11 | |
| Decane SCHEMBL14718768 | 1.00 | GPR84 (0.63) | GPR84PPARGPPARDPPARAHDAC11 | |
| Undecane SCHEMBL14719515 | 1.00 | GPR84 (0.63) | GPR84PPARGPPARDPPARAHDAC11 | |
| Heptane SCHEMBL1049410 | 1.00 | GPR84 (0.63) | GPR84PPARGPPARDPPARAHDAC11 | |
| Heptane SCHEMBL28166995 | 1.00 | GPR84 (0.63) | GPR84PPARGPPARDPPARAHDAC11 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130053469-A1 | INK-JET PRINTER INK | DURST PHOTOTECHNIK DIGITAL TECHNOLOGY GMBH (AT) | 2013-02-28 | — | — | US | disclosed |