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.
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 | |
|---|---|---|---|---|
| SCHEMBL892910 | 0.75 | USP2 (0.30) | — | |
| SCHEMBL2302416 | 0.65 | HTT (0.37) | — | |
| SCHEMBL2887866 | 0.63 | HTT (0.35) | — | |
| SCHEMBL7945176 | 0.63 | CA2 (0.32) | — | |
| SCHEMBL17413843 | 0.62 | CYP4F2 (0.31) | — | |
| SCHEMBL6725199 | 0.62 | CA4 (0.30) | — | |
| SCHEMBL14577296 | 0.62 | ALDH1A1 (0.36) | — | |
| SCHEMBL28899231 | 0.62 | HTT (0.31) | — | |
| SCHEMBL893127 | 0.61 | USP2 (0.31) | — | |
| SCHEMBL6063771 | 0.61 | — | — |
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-7002044-B2 | Catalysis by water-soluble organometallic complexes in water-in-densified fluid microemulsions | THE UNIVERSITY OF CONNECTICUT (US) | 2006-02-21 | — | — | US | claimed |
| US-20040097761-A1 | Catalysis by water-soluble organometallic complexes in water-in-densified fluid microemulsions | CONNECTICUT, THE UNIVERSITY OF | 2004-05-20 | — | — | US | claimed |
| US-7002044-B2 | Catalysis by water-soluble organometallic complexes in water-in-densified fluid microemulsions | THE UNIVERSITY OF CONNECTICUT (US) | 2006-02-21 | — | — | US | disclosed |
| US-20040097761-A1 | Catalysis by water-soluble organometallic complexes in water-in-densified fluid microemulsions | CONNECTICUT, THE UNIVERSITY OF | 2004-05-20 | — | — | US | disclosed |