Known targets — ChEMBL curated mechanism
ADRB1CDK4CDK6CHRM2CHRM3DPP4DRD2DRD3DRD4EGFRHRH1HTR1BHTR1DHTR1FHTR2AHTR2CHTR4SLC6A2SLC6A4
The experimentally established mechanism targets of Octane. 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 | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.83 |
| ▸ | PPARG | P37231 | 7/20 | 0.83 |
| ▸ | PPARD | Q03181 | 7/20 | 0.83 |
| ▸ | PPARA | Q07869 | 7/20 | 0.83 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.83 |
| ▸ | TSHR | P16473 | 4/20 | 0.83 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.83 |
| ▸ | FABP4 | P15090 | 3/20 | 0.83 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.83 |
| ▸ | TLR2 | O60603 | 2/20 | 0.83 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.83 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.83 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.83 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.83 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.83 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.83 |
| ▸ | MEN1 | O00255 | 1/20 | 0.83 |
| ▸ | ESR1 | P03372 | 1/20 | 0.83 |
| ▸ | PDE4A | P27815 | 1/20 | 0.83 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.83 |
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 SCHEMBL4338861 | 1.00 | GPR84 (0.83) | GPR84PPARGPPARDPPARAHDAC11 | |
| Succinic Acid SCHEMBL27758002 | 1.00 | GPR84 (0.83) | GPR84PPARGPPARDPPARAHDAC11 | |
| Hexadecane SCHEMBL28235583 | 1.00 | GPR84 (0.83) | GPR84PPARGPPARDPPARAHDAC11 | |
| Decane SCHEMBL15535349 | 0.97 | GPR84 (0.79) | GPR84PPARGPPARDPPARAHDAC11 | |
| Dodecane SCHEMBL29272678 | 0.97 | GPR84 (0.79) | GPR84PPARGPPARDPPARAHDAC11 | |
| Succinic Acid SCHEMBL8689027 | 0.97 | AKR1B1 (0.82) | GPR84PPARGPPARDPPARAHDAC11 | |
| Heptanoate SCHEMBL28513064 | 0.94 | GPR84 (0.94) | GPR84PPARGPPARDPPARAHDAC11 | |
| Octanoic Acid SCHEMBL1659991 | 0.94 | GPR84 (0.94) | GPR84PPARGPPARDPPARAHDAC11 | |
| Decanoic Acid SCHEMBL8641216 | 0.94 | GPR84 (0.94) | GPR84PPARGPPARDPPARAHDAC11 | |
| Palmitic Acid SCHEMBL20994175 | 0.94 | GPR84 (0.94) | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107602552-A | Salts of aza-bicyclic diaryl ethers and methods of making them or their precursors | 诺华股份有限公司 | 2018-01-19 | — | — | CN | disclosed |
| CN-103717596-B | Salts of aza-bicyclic diaryl ethers and methods of making them or their precursors | 诺华股份有限公司 | 2017-11-21 | — | — | CN | disclosed |
| US-9132290-B2 | Cosmetic composition | THE PROCTER & GAMBLE COMPANY (US) | 2015-09-15 | — | — | US | disclosed |
| US-20120021027-A1 | Cosmetic Composition | DEUTSCHE BANK TRUST COMPANY AMERICAS, AS COLLATERAL AGENT | 2012-01-26 | — | — | US | disclosed |
| WO-2012012497-A2 | COSMETIC COMPOSITION | THE PROCTER & GAMBLE COMPANY (US) | 2012-01-26 | — | — | WO | disclosed |
| CN-1563096-A | New technique for producing starch of octane succinate | BAISHIDA STARCH CO LTD GUANGXI (CN) | 2005-01-12 | — | — | CN | disclosed |
| EP-0239606-B1 | DETERGENT COMPOSITIONS | UNILEVER PLC (GB) | 1989-09-13 | — | — | EP | disclosed |
| US-4863628-A | Detergent compositions containing fatty acid soap and monoesters of dicarboxylic acids | LEVER BROTHERS COMPANY (US) | 1989-09-05 | — | — | US | disclosed |
| EP-0239606-A1 | DETERGENT COMPOSITIONS. | UNILEVER PLC (GB) | 1987-10-07 | — | — | EP | disclosed |
| WO-1987002379-A1 | DETERGENT COMPOSITIONS | UNILEVER PLC (GB) | 1987-04-23 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120021027-A1 | Cosmetic Composition | CUTA, TYR, MITF | GPR84 1481/4885PPARG 616/4885PPARD 1111/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.