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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.50 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.40 |
| ▸ | CISD1 | Q9NZ45 | 2/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.53 |
| ▸ | F11 | P03951 | 2/20 | 0.46 |
| ▸ | FUT7 | Q11130 | 2/20 | 0.39 |
| ▸ | DUSP5 | Q16690 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | PLG | P00747 | 2/20 | 0.33 |
| ▸ | ELANE | P08246 | 2/20 | 0.33 |
| ▸ | NT5E | P21589 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CTSG | P08311 | 1/20 | 0.33 |
| ▸ | PRTN3 | P24158 | 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 | |
|---|---|---|---|---|
| SCHEMBL10872659 | 0.80 | CISD1 (0.51) | CISD1PTPN1PTGS2CA2TYR | |
| SCHEMBL7154183 | 0.78 | CISD1 (0.51) | CISD1PTPN1PTGS2F11CA2 | |
| SCHEMBL7162359 | 0.78 | CISD1 (0.55) | CISD1PTGS2F11CA2FUT7 | |
| SCHEMBL8602283 | 0.77 | CISD1 (0.50) | CISD1PTGS2F11CA2FUT7 | |
| SCHEMBL7163858 | 0.76 | CA2 (0.53) | CISD1PTPN1PTGS2F11CA2 | |
| SCHEMBL7159283 | 0.73 | KMT2A (0.61) | CISD1PTGS2CA2MEN1KMT2A | |
| SCHEMBL2818769 | 0.71 | CISD1 (0.61) | CISD1PTGS2F11CA2ELANE | |
| Chromotropate SCHEMBL564557 | 0.69 | PTPN1 (1.00) | PTPN1DUSP5NT5EMEN1KMT2A | |
| SCHEMBL7156667 | 0.69 | PTGS2 (0.45) | CISD1PTGS2CA2DUSP5MEN1 | |
| SCHEMBL28591681 | 0.69 | CISD1 (0.54) | CISD1PTGS2F11CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7875412-B2 | silanetriol sulfonate complexes; for printers, copiers, facsimile machines; improved durability and environmental resistance | ORIENT CHEMICAL INDUSTRIES, LTD. (JP) | 2011-01-25 | — | — | US | disclosed |
| EP-1843214-A1 | Positive electrified charge control agent and positive electrified toner for developing electrostatic image | Orient Chemical Industries, Ltd. (JP) | 2007-10-10 | — | — | EP | disclosed |
| US-20070231726-A1 | Positive electrified charge control agent and positive electrified toner for developing electrostatic image | ORIENT CHEMICAL INDUSTRIES, LTD. (JP) | 2007-10-04 | — | — | US | disclosed |