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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 13/20 | 0.44 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL272969 | 0.89 | KCNH2 (0.47) | KCNH2RIOK2MAPTKDM4EALDH1A1 | |
| SCHEMBL272970 | 0.89 | KCNH2 (0.47) | KCNH2RIOK2MAPTKDM4EALDH1A1 | |
| SCHEMBL29397508 | 0.89 | KCNH2 (0.47) | KCNH2RIOK2MAPTKDM4EALDH1A1 | |
| SCHEMBL29397420 | 0.89 | KCNH2 (0.47) | KCNH2RIOK2MAPTKDM4EALDH1A1 | |
| Bromide SCHEMBL30705401 | 0.88 | KCNH2 (0.48) | KCNH2RIOK2MAPTKDM4EALDH1A1 | |
| SCHEMBL8206882 | 0.88 | KCNH2 (0.46) | KCNH2RIOK2MAPTKDM4EALDH1A1 | |
| SCHEMBL14484276 | 0.78 | KCNH2 (0.43) | KCNH2RIOK2MAPTKDM4EALDH1A1 | |
| SCHEMBL4343598 | 0.77 | KCNH2 (0.64) | KCNH2RIOK2MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL4343601 | 0.77 | KCNH2 (0.64) | KCNH2RIOK2MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL8654656 | 0.76 | KCNH2 (0.47) | KCNH2RIOK2MAPTKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105136694-A | Method for determining trace copper, trace zinc and trace iron in mineral water through ion pair-cloud point extraction- cloud point extraction-flame atomic absorption spectrometry | UNIV GUANGDONG PHARM | 2015-12-09 | — | — | CN | claimed |
| CN-105136694-A | Method for determining trace copper, trace zinc and trace iron in mineral water through ion pair-cloud point extraction- cloud point extraction-flame atomic absorption spectrometry | UNIV GUANGDONG PHARM | 2015-12-09 | — | — | CN | disclosed |