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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.48 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.44 |
| ▸ | FABP3 | P05413 | 6/20 | 0.46 |
| ▸ | CES2 | O00748 | 3/20 | 0.44 |
| ▸ | CES1 | P23141 | 3/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
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 SCHEMBL460170 | 0.84 | CA1 (0.59) | CA1FABP3CES2CES1GPR84 | |
| Propionic Acid SCHEMBL28671234 | 0.80 | TSHR (0.54) | CES2 | |
| Octane SCHEMBL28390058 | 0.78 | CES2 (0.60) | CA1CES2CES1GPR84CA2 | |
| Octane SCHEMBL28391181 | 0.78 | CES2 (0.60) | CA1FABP3CES2CES1GPR84 | |
| Heptanoate SCHEMBL6743537 | 0.77 | CA1 (0.73) | CA1FABP3CES2CES1GPR84 | |
| Octadecylamine SCHEMBL28997454 | 0.76 | DNM1 (0.59) | FABP3 | |
| Propionic Acid SCHEMBL27963799 | 0.76 | DNM1 (0.59) | CA1CES2CES1 | |
| Octadecylamine SCHEMBL28997993 | 0.76 | DNM1 (0.59) | CA1CES2CES1 | |
| Octadecylamine SCHEMBL28997462 | 0.76 | DNM1 (0.59) | FABP3 | |
| Dodecylamine SCHEMBL11763824 | 0.76 | DNM1 (0.59) | CA1CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111546729-A | Anti-ultraviolet composite fabric for outdoor equipment protective cover and preparation method thereof | 昆山恒泰复合材料科技有限公司 | 2020-08-18 | — | — | CN | claimed |
| CN-116988179-A | Preparation method of stock solution coloring acrylic black fiber and fiber thereof | 河北吉藁化纤有限责任公司 | 2023-11-03 | — | — | CN | disclosed |
| CN-116876096-A | Black color paste for acrylic fiber and preparation method thereof | 河北吉藁化纤有限责任公司 | 2023-10-13 | — | — | CN | disclosed |
| CN-111546729-A | Anti-ultraviolet composite fabric for outdoor equipment protective cover and preparation method thereof | 昆山恒泰复合材料科技有限公司 | 2020-08-18 | — | — | CN | disclosed |