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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.46 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.46 |
| ▸ | DUSP5 | Q16690 | 1/20 | 0.48 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.47 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | COMT | P21964 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4108638 | 0.80 | MAPK1 (0.66) | MAPK1CA1CA2CA9KDM4E | |
| SCHEMBL31267535 | 0.79 | MAPK1 (0.49) | MAPK1CA1CA2CA9COMT | |
| Potassium Ion SCHEMBL31267534 | 0.76 | MAPK1 (0.66) | MAPK1CA1CA2CA9KDM4E | |
| SCHEMBL27346002 | 0.75 | KDM4E (0.53) | PTPN7PTPN11MAPK1CA1CA2 | |
| SCHEMBL4118811 | 0.75 | ALDH1A1 (0.55) | PTPN7PTPN11KDM4EMAPTMEN1 | |
| SCHEMBL30554001 | 0.74 | KDM4E (0.47) | PTPN7PTPN11MAPK1CA1CA2 | |
| Water SCHEMBL30286050 | 0.73 | KDM4E (0.46) | PTPN7PTPN11MAPK1CA1CA2 | |
| SCHEMBL30940025 | 0.73 | DUSP5 (0.53) | DUSP5PTPN7PTPN11MAPK1CA1 | |
| SCHEMBL6846267 | 0.73 | DUSP5 (0.53) | DUSP5PTPN7PTPN11MAPK1CA1 | |
| SCHEMBL8599486 | 0.73 | DUSP5 (0.53) | DUSP5PTPN7PTPN11MAPK1CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108368153-A | Method and system for the oxalic acid protein reduced from water biological species and its composition extraction | 帕拉贝尔有限公司 | 2018-08-03 | — | — | CN | claimed |