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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.39 |
| ▸ | STIM1 | Q13586 | 1/20 | 0.37 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.34 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.34 |
| ▸ | FABP4 | P15090 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 2/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CD38 | P28907 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL271947 | 0.90 | PTPN1 (0.38) | HSD11B1SLC22A12AKR1B1PTPN1TAAR1 | |
| SCHEMBL4007426 | 0.84 | RXFP1 (0.37) | HSD11B1RORCAKR1B1PTPN1TAAR1 | |
| SCHEMBL2903593 | 0.83 | HSD11B1 (0.45) | HSD11B1SLC22A12STIM1ORAI1P2RX7 | |
| SCHEMBL271669 | 0.82 | RORC (0.38) | HSD11B1SLC22A12RORCPTGS2CYP3A4 | |
| SCHEMBL2376126 | 0.81 | HSD11B1 (0.44) | HSD11B1SLC22A12STIM1ORAI1P2RX7 | |
| SCHEMBL272465 | 0.81 | HSD11B1 (0.44) | HSD11B1SLC22A12STIM1ORAI1P2RX7 | |
| SCHEMBL2376127 | 0.81 | HSD11B1 (0.44) | HSD11B1SLC22A12STIM1ORAI1P2RX7 | |
| SCHEMBL4004824 | 0.81 | HSD11B1 (0.44) | HSD11B1SLC22A12STIM1ORAI1P2RX7 | |
| SCHEMBL27688701 | 0.81 | HSD11B1 (0.44) | HSD11B1SLC22A12STIM1ORAI1P2RX7 | |
| SCHEMBL14378239 | 0.80 | HSD11B1 (0.43) | HSD11B1SLC22A12STIM1ORAI1P2RX7 |
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-8133849-B2 | Herbicidal compounds | SYNGENTA LIMITED (GB) | 2012-03-13 | — | — | US | disclosed |
| EP-1718605-B1 | PROCESSES FOR THE PREPARATION OF ARYL-AND HETEROARYL-ALKYLSULFONYL HALIDES | WYETH CORP (US) | 2009-06-17 | — | — | EP | disclosed |