Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Dodecane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.58 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.52 |
| ▸ | FABP3 | P05413 | 5/20 | 0.50 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 3/20 | 0.48 |
| ▸ | CES1 | P23141 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Dodecylamine SCHEMBL11763824 | 0.87 | DNM1 (0.59) | CA1CES2CES1 | |
| Octadecylamine SCHEMBL28997993 | 0.87 | DNM1 (0.59) | CA1CES2CES1 | |
| Propionic Acid SCHEMBL27963799 | 0.87 | DNM1 (0.59) | CA1CES2CES1 | |
| Heptanoate SCHEMBL6743537 | 0.85 | CA1 (0.73) | CA1GPR84FABP3NFKB1CES2 | |
| Octadecylamine SCHEMBL28997462 | 0.83 | DNM1 (0.59) | FABP3 | |
| Octadecylamine SCHEMBL28997454 | 0.83 | DNM1 (0.59) | FABP3 | |
| Dodecane SCHEMBL460170 | 0.82 | CA1 (0.59) | CA1GPR84FABP3FFAR3HDAC3 | |
| Propionic Acid SCHEMBL28516410 | 0.81 | SOAT1 (0.59) | CA1FABP3CES2CES1 | |
| Octanoic Acid SCHEMBL11457952 | 0.81 | FABP3 (0.62) | CA1GPR84FABP3NFKB1CES2 | |
| Decanoic Acid SCHEMBL11579248 | 0.81 | FABP3 (0.62) | CA1GPR84FABP3NFKB1CES2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5393729-A | Pesticides, fungicides, herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 1995-02-28 | — | — | US | disclosed |
| US-5095024-A | Parasiticides | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-10 | — | — | US | disclosed |
| EP-0216355-A2 | Aqueous laundry prespotting composition | S.C. JOHNSON & SON, INC. (US) | 1987-04-01 | — | — | EP | disclosed |
| US-4205103-A | AMPHOTERIC SURFACTANT ACID, IONIZABLE ACID, WATER SOLUBLE BASE | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1980-05-27 | — | — | US | disclosed |