Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | 5/20 | 0.42 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.42 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 4/20 | 0.48 |
| ▸ | CES1 | P23141 | 4/20 | 0.48 |
| ▸ | DGKA | P23743 | 1/20 | 0.46 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.43 |
| ▸ | LPAR4 | Q99677 | 2/20 | 0.43 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.43 |
| ▸ | LPAR3 | Q9UBY5 | 2/20 | 0.43 |
| ▸ | LPAR6 | P43657 | 1/20 | 0.43 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | PPARD | Q03181 | 5/20 | 0.42 |
| ▸ | PPARA | Q07869 | 5/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TLR2 | O60603 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6738060 | 1.00 | CES2 (0.48) | CES2CES1DGKALPAR1LPAR4 | |
| SCHEMBL1023544 | 0.84 | FFAR3 (0.41) | CES2CES1LPAR1LPAR4LPAR2 | |
| SCHEMBL1022943 | 0.80 | CA1 (0.32) | LMNA | |
| SCHEMBL19285720 | 0.79 | CES2 (0.48) | CES2CES1DGKAPPARGPPARD | |
| SCHEMBL31187771 | 0.79 | CES2 (0.48) | CES2CES1DGKAPPARGPPARD | |
| SCHEMBL3917799 | 0.77 | DGKA (0.53) | CES2CES1DGKALPAR1LPAR4 | |
| SCHEMBL28261297 | 0.77 | DGKA (0.53) | CES2CES1DGKALPAR1LPAR4 | |
| SCHEMBL28896537 | 0.77 | DGKA (0.53) | CES2CES1DGKALPAR1LPAR4 | |
| Lithium Ion SCHEMBL16987213 | 0.76 | CES2 (0.56) | CES2CES1PPARGPPARDPPARA | |
| Lithium Ion SCHEMBL16987212 | 0.76 | CES2 (0.56) | CES2CES1PPARGPPARDPPARA |
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-6686462-B2 | Antiviral compounds and methods of administration | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2004-02-03 | — | — | US | disclosed |
| WO-1998038202-A1 | ANTIVIRAL PHOSPHONATE PRODRUGS OF NUCLEOSIDES AND NUCLEOSIDE ANALOGUES | DANA-FARBER CANCER INSTITUTE (US) | 1998-09-03 | — | — | WO | disclosed |