Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.40 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.33 |
| ▸ | LPAR4 | Q99677 | 1/20 | 0.33 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.33 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3367432 | 0.87 | CA1 (0.41) | CA1MAPTCA2GPR84NFKB1 | |
| SCHEMBL5706474 | 0.87 | CA1 (0.41) | CA1MAPTCA2GPR84NFKB1 | |
| SCHEMBL6314726 | 0.85 | CA1 (0.40) | CA1MAPTCA2GPR84 | |
| SCHEMBL3249951 | 0.85 | CA1 (0.40) | CA1MAPTCA2GPR84 | |
| Potassium Ion SCHEMBL3366858 | 0.84 | CA1 (0.39) | CA1MAPTCA2GPR84 | |
| SCHEMBL3366160 | 0.84 | CA1 (0.39) | CA1MAPTCA2GPR84 | |
| SCHEMBL3245650 | 0.84 | CA1 (0.39) | CA1MAPTCA2GPR84 | |
| SCHEMBL3241594 | 0.84 | CA1 (0.39) | CA1MAPTCA2GPR84 | |
| SCHEMBL3365188 | 0.84 | CA1 (0.39) | CA1MAPTCA2GPR84 | |
| SCHEMBL3246038 | 0.84 | CA1 (0.39) | CA1MAPTCA2GPR84 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7582681-B2 | Synergistic mixtures of 1,2-alkane diols | SYMRISE GMBH & CO. KG (DE) | 2009-09-01 | — | — | US | disclosed |
| EP-1731036-A1 | Synergistic mixtures containing 1,2-alkanediols | Symrise GmbH & Co. KG (DE) | 2006-12-13 | — | — | EP | disclosed |
| EP-1478231-B1 | SYNERGISTIC MIXTURES OF 1,2-ALKANE DIOLS | SYMRISE GMBH & CO KG (DE) | 2006-08-30 | — | — | EP | disclosed |
| US-20050222276-A1 | Synergistic mixtures of 1,2-alkane diols | SYMRISE AG (DE) | 2005-10-06 | — | — | US | disclosed |
| EP-1000542-A1 | Antimicrobial composition and its use, especially in cosmetics and dermatology | L'OREAL (FR) | 2000-05-17 | — | — | EP | 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-20050222276-A1 | Synergistic mixtures of 1,2-alkane diols | BAK1, ERG28, ADH1A | CA1 2309/4885CA2 1223/4885MAPT 4439/4885 |
“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.