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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 9/20 | 0.52 |
| ▸ | FAAH | O00519 | 8/20 | 0.52 |
| ▸ | CES2 | O00748 | 6/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.43 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5424532 | 1.00 | CES1 (0.52) | CES1FAAHCES2MEN1CYP1A2 | |
| SCHEMBL157582 | 1.00 | CES1 (0.52) | CES1FAAHCES2MEN1CYP1A2 | |
| SCHEMBL1434216 | 1.00 | CES1 (0.52) | CES1FAAHCES2MEN1CYP1A2 | |
| SCHEMBL67299 | 1.00 | CES1 (0.52) | CES1FAAHCES2MEN1CYP1A2 | |
| SCHEMBL1434474 | 1.00 | CES1 (0.52) | CES1FAAHCES2MEN1CYP1A2 | |
| SCHEMBL3420477 | 0.98 | FAAH (0.50) | CES1FAAHCES2MEN1CYP1A2 | |
| SCHEMBL8050067 | 0.96 | CES1 (0.52) | CES1FAAHCES2MEN1CYP1A2 | |
| Potassium Ion SCHEMBL8081715 | 0.96 | CES1 (0.52) | CES1FAAHCES2MEN1CYP1A2 | |
| SCHEMBL8038894 | 0.96 | CES1 (0.52) | CES1FAAHCES2MEN1CYP1A2 | |
| Potassium Ion SCHEMBL8074283 | 0.96 | CES1 (0.52) | CES1FAAHCES2MEN1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2200456-B1 | PRESERVATION OF ACIDIC BEVERAGES | PURAC BIOCHEM BV (NL) | 2011-03-30 | — | — | EP | disclosed |
| EP-2200456-A1 | PRESERVATION OF ACIDIC BEVERAGES | PURAC Biochem BV (NL) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009037274-A1 | PRESERVATION OF ACIDIC BEVERAGES | PURAC BIOCHEM BV (NL) | 2009-03-26 | — | — | WO | disclosed |
| US-20090074926-A1 | Preservation of acidic beverages | PURAC BIOCHEM B.V. (NL) | 2009-03-19 | — | — | US | disclosed |