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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.45 |
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.42 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.39 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.49 |
| ▸ | CASP6 | P55212 | 3/20 | 0.46 |
| ▸ | NSD2 | O96028 | 2/20 | 0.46 |
| ▸ | MMP14 | P50281 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 4/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | DUSP5 | Q16690 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29635269 | 1.00 | EGFR (0.49) | EGFRCASP6NSD2MMP14KMT2A | |
| SCHEMBL2440067 | 1.00 | EGFR (0.49) | EGFRCASP6NSD2MMP14KMT2A | |
| SCHEMBL2433665 | 0.86 | NSD2 (0.54) | EGFRCASP6NSD2MMP14KMT2A | |
| SCHEMBL2433663 | 0.86 | NSD2 (0.54) | EGFRCASP6NSD2MMP14KMT2A | |
| SCHEMBL144371 | 0.84 | EGFR (0.67) | EGFRCASP6NSD2MMP14KMT2A | |
| SCHEMBL29555012 | 0.84 | EGFR (0.67) | EGFRCASP6NSD2MMP14KMT2A | |
| SCHEMBL94484 | 0.84 | EGFR (0.67) | EGFRCASP6NSD2MMP14KMT2A | |
| SCHEMBL9446394 | 0.84 | CA2 (0.56) | EGFRKMT2AMEN1MAPTPOLB | |
| SCHEMBL9446395 | 0.84 | CA2 (0.56) | EGFRKMT2AMEN1MAPTPOLB | |
| Resorcinol SCHEMBL1507732 | 0.80 | EGFR (0.59) | EGFRCASP6NSD2MMP14KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2549999-A1 | AZO COMPOUNDS REDUCING FORMATION AND TOXICITY OF AMYLOID BETA AGGREGATION INTERMEDIATES | Max-Delbrück-Centrum für Molekulare Medizin (DE) | 2013-01-30 | — | — | EP | disclosed |
| WO-2011117305-A1 | AZO COMPOUNDS REDUCING FORMATION AND TOXICITY OF AMYLOID BETA AGGREGATION INTERMEDIATES | Max-Delbrück-Centrum für Molekulare Medizin (DE) | 2011-09-29 | — | — | WO | disclosed |
| EP-2368558-A1 | Azo compounds reducing formation and toxicity of amyloid beta aggregation intermediates | Mdc Max-Delbrück-Centrum Für Molekulare Medizin Berlin - Buch (DE) | 2011-09-28 | — | — | EP | disclosed |