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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.33 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.32 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.32 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.32 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.47 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.47 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.47 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.47 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.47 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.47 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL4354813 | 0.83 | PSEN1 (0.46) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL5067846 | 0.83 | PSEN1 (0.46) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL14395743 | 0.78 | PSEN1 (0.42) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL4358933 | 0.77 | MAPK1 (0.40) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL30273930 | 0.77 | ALDH1A1 (0.53) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL20183941 | 0.73 | PSEN1 (0.44) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL249876 | 0.72 | VCAM1 (0.48) | VCAM1POLBHTR2CHTR2AMAPK1 | |
| SCHEMBL29882904 | 0.72 | VCAM1 (0.48) | VCAM1POLBHTR2CHTR2AMAPK1 | |
| SCHEMBL4318681 | 0.72 | VCAM1 (0.57) | VCAM1POLBMAPK1ALDH1A1CYP3A4 | |
| SCHEMBL30838118 | 0.72 | VCAM1 (0.57) | VCAM1POLBMAPK1ALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1457511-B1 | CROSSLINKABLE AROMATIC RESINS HAVING PROTONIC ACID GROUPS AND ION CONDUCTIVE POLYMER MEMBRANES BINDERS AND FUEL CELLS MADE BY USING THE SAME | MITSUI CHEMICALS INC (JP) | 2009-07-15 | — | — | EP | disclosed |
| EP-1457511-A1 | CROSSLINKABLE AROMATIC RESINS HAVING PROTONIC ACID GROUPS AND ION CONDUCTIVE POLYMER MEMBRANES BINDERS AND FUEL CELLS MADE BY USING THE SAME | Mitsui Chemicals, Inc. (JP) | 2004-09-15 | — | — | EP | disclosed |