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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ALDH3A1 | P30838 | 5/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29438051 | 1.00 | SMN1; SMN2 (0.41) | SMN1; SMN2TDP1MAPK1ALDH1A1CYP3A4 | |
| SCHEMBL14023358 | 0.82 | ALDH3A1 (0.46) | SMN1; SMN2TDP1MAPK1ALDH1A1CYP3A4 | |
| SCHEMBL29384404 | 0.82 | ALDH3A1 (0.46) | SMN1; SMN2TDP1MAPK1ALDH1A1CYP3A4 | |
| SCHEMBL13461109 | 0.82 | ALDH3A1 (0.46) | SMN1; SMN2TDP1MAPK1ALDH1A1CYP3A4 | |
| SCHEMBL30371789 | 0.82 | ALDH3A1 (0.46) | SMN1; SMN2TDP1MAPK1ALDH1A1CYP3A4 | |
| SCHEMBL29892362 | 0.78 | ALDH1A1 (0.44) | SMN1; SMN2TDP1MAPK1ALDH1A1CYP3A4 | |
| SCHEMBL13433696 | 0.76 | ALDH3A1 (0.40) | SMN1; SMN2TDP1MAPK1ALDH1A1CYP3A4 | |
| SCHEMBL13460840 | 0.75 | ALDH3A1 (0.44) | SMN1; SMN2TDP1MAPK1ALDH1A1CYP3A4 | |
| SCHEMBL29416718 | 0.73 | ALDH3A1 (0.47) | SMN1; SMN2TDP1MAPK1ALDH1A1ALDH3A1 | |
| SCHEMBL13433703 | 0.69 | ALDH3A1 (0.38) | SMN1; SMN2TDP1MAPK1ALDH1A1CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1954035-B | Monoazo dyes | CLARIANT FINANCE BVI LTD | 2010-12-29 | — | — | CN | disclosed |
| EP-1765931-B1 | MONOAZO DYES | CLARIANT FINANCE BVI LTD (VG) | 2007-12-05 | — | — | EP | disclosed |
| CN-1954035-A | Monoazo dyes | CLARIANT FINANCE BVI LTD (GB) | 2007-04-25 | — | — | CN | disclosed |
| EP-1765931-A1 | MONOAZO DYES | Clariant Finance (BVI) Limited (VG) | 2007-03-28 | — | — | EP | disclosed |
| WO-2005113683-A1 | MONOAZO DYES | CLARIANT FINANCE (BVI) LIMITED (VG) | 2005-12-01 | — | — | WO | disclosed |