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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.42 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.36 |
| ▸ | FDPS known ✓ | P14324 | 4/20 | 0.35 |
| ▸ | CES2 | O00748 | 4/20 | 0.38 |
| ▸ | CES1 | P23141 | 3/20 | 0.38 |
| ▸ | GGPS1 | O95749 | 3/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1484417 | 1.00 | CA2 (0.42) | CA2CES2CES1CA1GGPS1 | |
| SCHEMBL337752 | 1.00 | CA2 (0.42) | CA2CES2CES1CA1GGPS1 | |
| Lithium Ion SCHEMBL1484424 | 0.96 | CES2 (0.38) | CA2CES2CES1GGPS1FDPS | |
| Potassium Ion SCHEMBL1484421 | 0.96 | CES2 (0.38) | CA2CES2CES1GGPS1FDPS | |
| SCHEMBL7199650 | 0.86 | CA2 (0.42) | CA2CES2CES1CA1GGPS1 | |
| SCHEMBL11660121 | 0.81 | CES2 (0.40) | CES2GGPS1TSHR | |
| SCHEMBL27508982 | 0.81 | CES2 (0.40) | CES2GGPS1TSHR | |
| SCHEMBL3052895 | 0.81 | CES2 (0.40) | CES2GGPS1TSHR | |
| SCHEMBL5342660 | 0.81 | CES2 (0.40) | CES2GGPS1TSHR | |
| SCHEMBL27615120 | 0.81 | CES2 (0.40) | CES2GGPS1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0962459-B1 | DIACETAL COMPOSITION, PROCESS FOR THE PREPARATION OF THE SAME, NUCLEATING AGENT FOR POLYOLEFINS CONTAINING THE SAME, POLYOLEFIN RESIN COMPOSITIONS, AND MOLDINGS | NEW JAPAN CHEM CO LTD (JP) | 2003-10-01 | — | — | EP | claimed |