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 | 3/20 | 0.47 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.47 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B known ✓ | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.42 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.39 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 2/20 | 0.42 |
| ▸ | PDE2A | O00408 | 1/20 | 0.42 |
| ▸ | PDE5A | O76074 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL2979884 | 0.97 | KMT2A (0.47) | KMT2ACA1CA2RAD51MAPT | |
| SCHEMBL2967741 | 0.87 | KMT2A (0.59) | KMT2ARAD51MAPTALDH1A1CYP3A4 | |
| SCHEMBL28757542 | 0.87 | ALDH1A1 (0.57) | KMT2ARAD51MAPTALDH1A1CYP3A4 | |
| Potassium Ion SCHEMBL2979881 | 0.84 | NT5E (0.47) | KMT2ACA1CA2MAPTALDH1A1 | |
| Potassium Ion SCHEMBL2967551 | 0.84 | NT5E (0.47) | KMT2ACA1CA2MAPTALDH1A1 | |
| Potassium Ion SCHEMBL2965805 | 0.84 | KMT2A (0.59) | KMT2ARAD51MAPTALDH1A1CYP3A4 | |
| Potassium Ion SCHEMBL31252976 | 0.84 | ALDH1A1 (0.57) | KMT2ARAD51MAPTALDH1A1CYP3A4 | |
| Potassium Ion SCHEMBL8013755 | 0.84 | ALDH1A1 (0.57) | KMT2ARAD51MAPTALDH1A1CYP3A4 | |
| SCHEMBL2970340 | 0.82 | L3MBTL1 (0.58) | KMT2ACA1CA2RAD51MAPT | |
| Potassium Ion SCHEMBL2975282 | 0.80 | L3MBTL1 (0.60) | KMT2ACA1CA2RAD51MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-6518455-B1 | from the corresponding symmetric stilbene compounds of the formula aqueous ozonolysis and subsequent isolation of an aldehyde or oxidation to give the corresponding carboxylic acid. | DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) | 2003-02-11 | — | — | US | disclosed |