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 | 1/20 | 0.46 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | F2 | P00734 | 3/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | S100A4 | P26447 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3193995 | 0.85 | KMT2A (0.68) | KMT2AMEN1GPR35TSHRF2 | |
| Sulfuric Acid SCHEMBL8589534 | 0.84 | GPR35 (0.59) | KMT2AMEN1GPR35TSHRF2 | |
| SCHEMBL4289305 | 0.83 | KMT2A (0.41) | KMT2AMEN1GPR35TSHRF2 | |
| SCHEMBL31348020 | 0.82 | KMT2A (0.70) | KMT2AMEN1F2PRSS1PRSS2 | |
| SCHEMBL176928 | 0.82 | KMT2A (0.70) | KMT2AMEN1F2PRSS1PRSS2 | |
| SCHEMBL6821729 | 0.81 | KMT2A (0.53) | KMT2AMEN1GPR35TSHRF2 | |
| SCHEMBL31294234 | 0.81 | KMT2A (0.53) | KMT2AMEN1GPR35TSHRF2 | |
| SCHEMBL31294204 | 0.81 | KMT2A (0.53) | KMT2AMEN1GPR35TSHRF2 | |
| Water SCHEMBL31126259 | 0.81 | KMT2A (0.40) | KMT2AMEN1GPR35TSHRF2 | |
| SCHEMBL31294149 | 0.81 | KMT2A (0.53) | KMT2AMEN1GPR35TSHRF2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111256155-B | Incineration process device and method for treating TNT (TNT) nitrogen-containing saline-alkali organic waste liquid | 北京航化节能环保技术有限公司 | 2024-08-06 | — | — | CN | disclosed |
| CN-113811310-B | Compositions comprising phosphorus derivatives of nicotinamide riboside and methods for modulating nicotinamide adenine dinucleotide | 麦德龙国际生物科技有限责任公司 | 2023-03-24 | — | — | CN | disclosed |
| CN-212511190-U | Incineration process device for treating TNT (trinitrotoluene) nitrogen-containing and salt-containing alkaline organic waste liquid | 北京航化节能环保技术有限公司 | 2021-02-09 | — | — | CN | disclosed |
| CN-111256155-A | Incineration process device and method for treating TNT (trinitrotoluene) nitrogen-containing salt-containing alkaline organic waste liquid | 北京航化节能环保技术有限公司 | 2020-06-09 | — | — | CN | disclosed |
| US-5788824-A | Process for conditioning the copper or copper-alloy external surface of an element of a mold for the continuous casting of metals, of the type including a nickel plating step and a nickel removal step | USINOR SACILOR (SOCIETE ANONYME) (FR) | 1998-08-04 | — | — | US | disclosed |
| EP-0054371-B1 | PROCESS FOR DETOXIFICATION | Interox Chemicals Limited (GB) | 1985-03-27 | — | — | EP | disclosed |
| US-4417987-A | METAL CYANIDE COMPLEX REMOVAL | INTEROX CHEMICALS LIMITED (GB) | 1983-11-29 | — | — | US | disclosed |
| EP-0054371-A1 | Process for detoxification | Interox Chemicals Limited (GB) | 1982-06-23 | — | — | EP | disclosed |