Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Dodecanoate. 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 | |
|---|---|---|---|---|
| ▸ | PPARG known ✓ | P37231 | 7/20 | 0.47 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.47 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.50 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.47 |
| ▸ | PPARD | Q03181 | 7/20 | 0.47 |
| ▸ | PPARA | Q07869 | 7/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TLR2 | O60603 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | FABP4 | P15090 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Stearic Acid SCHEMBL2935724 | 1.00 | MEN1 (0.52) | MEN1KMT2AKDM4EDUSP3LMNA | |
| Dodecanoate SCHEMBL6416174 | 0.89 | KDM4E (0.52) | MEN1KMT2AKDM4EDUSP3LMNA | |
| Dodecanoate SCHEMBL2937325 | 0.86 | MEN1 (0.55) | MEN1KMT2AKDM4EDUSP3LMNA | |
| Stearic Acid SCHEMBL2939057 | 0.86 | MEN1 (0.55) | MEN1KMT2AKDM4EDUSP3LMNA | |
| Stearic Acid SCHEMBL28491147 | 0.85 | FFAR4 (0.59) | MEN1KMT2AKDM4EDUSP3FFAR4 | |
| Stearic Acid SCHEMBL28774585 | 0.84 | MEN1 (0.54) | MEN1KMT2AKDM4EDUSP3LMNA | |
| Dodecanoate SCHEMBL2937350 | 0.84 | MEN1 (0.54) | MEN1KMT2AKDM4EDUSP3LMNA | |
| Dodecanoate SCHEMBL5463549 | 0.84 | FFAR4 (0.57) | MEN1KMT2AFFAR4FFAR1GPR84 | |
| Stearic Acid SCHEMBL27951707 | 0.84 | FFAR4 (0.57) | MEN1KMT2AFFAR4FFAR1GPR84 | |
| Dodecanoate SCHEMBL29269195 | 0.82 | FFAR4 (0.49) | MEN1KMT2AKDM4EDUSP3LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6914088-B2 | DIACETAL COMPOSITION, POLYOLEFIN NUCLEATING AGENT COMPRISING THE DIACETAL COMPOSITION, POLYOLEFIN RESIN COMPOSITIONS CONTAINING THE DIACETAL COMPOSITION, METHOD FOR MANUFACTURING THE RESIN COMPOSITION, AND MOLDINGS | NEW JAPAN CHEMICAL CO., LTD. (JP) | 2005-07-05 | — | — | US | disclosed |
| US-20030109610-A1 | Diacetal composition, polyolefin nucleating agent comprising the diacetal composition, polyolefin resin compositions containing the diacetal composition, method for manufacturing the resin composition, and moldings | NEW JAPAN CHEMICAL CO., LTD (JP) | 2003-06-12 | — | — | US | disclosed |