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 | |
|---|---|---|---|---|
| ▸ | GABRB1 known ✓ | P18505 | 1/20 | 0.39 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.39 |
| ▸ | GABBR2 known ✓ | O75899 | 3/20 | 0.39 |
| ▸ | GABBR1 known ✓ | Q9UBS5 | 3/20 | 0.39 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.36 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.36 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.39 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.39 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.38 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL546422 | 0.91 | GABRB1 (0.40) | CES2CES1GABRB1GABRB2ENPP3 | |
| SCHEMBL382734 | 0.88 | CES2 (0.42) | CES2CES1GABRB1GABRB2ENPP3 | |
| SCHEMBL1671650 | 0.87 | CES2 (0.41) | CES2CES1GABRB1GABRB2ENPP3 | |
| SCHEMBL19042451 | 0.86 | CES2 (0.41) | CES2CES1GABRB1GABRB2ENPP3 | |
| SCHEMBL482457 | 0.84 | TSHR (0.44) | CES1NPC1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL546783 | 0.84 | ENPP1 (0.41) | GABRB1GABRB2ENPP3ENPP1GABBR2 | |
| SCHEMBL1671825 | 0.82 | PDCD1 (0.49) | UTS2RSMN1; SMN2CA12CA1CA2 | |
| SCHEMBL963504 | 0.80 | GABRB1 (0.43) | CES2CES1GABRB1GABRB2ENPP3 | |
| SCHEMBL17111059 | 0.79 | NPC1 (0.40) | CES2CES1GABBR2GABBR1UTS2R | |
| SCHEMBL1318396 | 0.78 | ELANE (0.39) | GABRB1GABRB2GABBR2GABBR1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1710230-B1 | Novel sulfonate salts and derivatives, photoacid generators, resist compositions, and patterning process | SHINETSU CHEMICAL CO (JP) | 2013-08-14 | — | — | EP | disclosed |
| US-7919226-B2 | Sulfonate salts and derivatives, photoacid generators, resist compositions, and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2011-04-05 | — | — | US | disclosed |
| US-7514202-B2 | Thermal acid generator, resist undercoat material and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2009-04-07 | — | — | US | disclosed |
| US-7511169-B2 | Sulfonate salts and derivatives, photoacid generators, resist compositions, and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2009-03-31 | — | — | US | disclosed |
| US-20080318160-A1 | Novel sulfonate salts and derivatives, photoacid generators, resist compositions, and patterning process | RITTAL GMBH & CO. KG (DE) | 2008-12-25 | — | — | US | disclosed |
| US-20070264596-A1 | Thermal acid generator, resist undercoat material and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2007-11-15 | — | — | US | disclosed |
| US-20060228648-A1 | Novel sulfonate salts and derivatives, photoacid generators, resist compositions, and patterning process | SHIN-ETSU CHEMICAL CO., LTD. | 2006-10-12 | — | — | US | disclosed |
| EP-1710230-A1 | Novel sulfonate salts and derivatives, photoacid generators, resist compositions, and patterning process | Shin-Etsu Chemical Co., Ltd. (JP) | 2006-10-11 | — | — | EP | disclosed |