Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Pontacyl Violet 6R. 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 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.74 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.74 |
| ▸ | DNASE1L3 | Q13609 | 1/20 | 0.74 |
| ▸ | MEN1 | O00255 | 2/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.66 |
| ▸ | POLB | P06746 | 1/20 | 0.66 |
| ▸ | GRK2 | P25098 | 1/20 | 0.66 |
| ▸ | PLEC | Q15149 | 1/20 | 0.66 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.55 |
| ▸ | DUSP5 | Q16690 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | PTPRA | P18433 | 1/20 | 0.54 |
| ▸ | PTPRB | P23467 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL11763970 | 0.89 | MEN1 (0.74) | CYP1A2CYP2C9MAPK1DNASE1L3MEN1 | |
| SCHEMBL11763979 | 0.89 | MEN1 (0.74) | CYP1A2CYP2C9MAPK1DNASE1L3MEN1 | |
| Pontacyl Violet 6R SCHEMBL29412925 | 0.85 | CYP1A2 (1.00) | CYP1A2CYP2C9MAPK1DNASE1L3MEN1 | |
| Pontacyl Violet 6R SCHEMBL10080484 | 0.85 | CYP1A2 (1.00) | CYP1A2CYP2C9MAPK1DNASE1L3MEN1 | |
| Pontacyl Violet 6R SCHEMBL12282563 | 0.85 | CYP1A2 (1.00) | CYP1A2CYP2C9MAPK1DNASE1L3MEN1 | |
| SCHEMBL29476106 | 0.84 | MEN1 (0.73) | CYP1A2CYP2C9MAPK1DNASE1L3MEN1 | |
| SCHEMBL11753293 | 0.83 | MEN1 (0.64) | CYP1A2CYP2C9MAPK1DNASE1L3MEN1 | |
| SCHEMBL11753265 | 0.83 | MEN1 (0.64) | CYP1A2CYP2C9MAPK1DNASE1L3MEN1 | |
| SCHEMBL5859446 | 0.83 | POLB (0.66) | CYP1A2CYP2C9MAPK1DNASE1L3MEN1 | |
| SCHEMBL29527866 | 0.83 | MEN1 (0.83) | CYP1A2CYP2C9MAPK1DNASE1L3MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022188373-A1 | METHOD FOR DETECTING WATER-SOLUBLE ANIONIC SYNTHETIC PIGMENT IN FOOD | 广州市食品检验所（广州市酒类检测中心） | 2022-09-15 | — | — | WO | disclosed |