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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.56 |
| ▸ | CRHBP | P24387 | 1/20 | 0.56 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CCR2 | P41597 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9568275 | 0.84 | MCOLN3 (0.59) | TDP1MCOLN3CRHBPCRHR2ALDH1A1 | |
| SCHEMBL10700954 | 0.83 | MCOLN3 (0.58) | MCOLN3CRHBPCRHR2ALDH1A1TSHR | |
| SCHEMBL994972 | 0.83 | MCOLN3 (0.58) | MCOLN3CRHBPCRHR2ALDH1A1TSHR | |
| SCHEMBL29397077 | 0.83 | MCOLN3 (0.58) | MCOLN3CRHBPCRHR2ALDH1A1TSHR | |
| SCHEMBL30430459 | 0.81 | MCOLN3 (0.56) | MCOLN3CRHBPCRHR2ALDH1A1TSHR | |
| SCHEMBL1156340 | 0.81 | CA2 (0.66) | TDP1MCOLN3CRHBPCRHR2ALDH1A1 | |
| SCHEMBL274368 | 0.81 | MCOLN3 (0.56) | MCOLN3CRHBPCRHR2ALDH1A1TSHR | |
| SCHEMBL6039257 | 0.81 | MCOLN3 (0.56) | MCOLN3CRHBPCRHR2ALDH1A1TSHR | |
| SCHEMBL731102 | 0.81 | MCOLN3 (0.60) | TDP1MCOLN3CRHBPCRHR2ALDH1A1 | |
| SCHEMBL11201358 | 0.81 | VCAM1 (0.47) | LMNATDP1ALDH1A1HTTMAPK1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103772243-B | A kind of preparation method of mesotrione | INSIGHT FINECHEM CO., LTD. (CN) | 2016-03-23 | — | — | CN | claimed |
| CN-103772243-A | Preparation method of mesotrione | BEIJING YINGLI JINGHUA TECHNOLOGY DEV CO LTD | 2014-05-07 | — | — | CN | claimed |
| EP-0534360-A1 | Method of preparing nitrotoluenesulfonic acids and sodium salts thereof | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1993-03-31 | — | — | EP | claimed |
| CN-110964652-B | Dinitro sodium toluene sulfonate degrading bacteria and screening method and application thereof | 中国科学院青岛生物能源与过程研究所 | 2022-04-22 | — | — | CN | disclosed |
| CN-108997175-B | Method for preparing sodium m-nitrobenzenesulfonate and derivatives thereof by sulfonating chlorosulfonic acid | 金华双宏化工有限公司 | 2021-03-26 | — | — | CN | disclosed |
| CN-103772243-B | A kind of preparation method of mesotrione | INSIGHT FINECHEM CO., LTD. (CN) | 2016-03-23 | — | — | CN | disclosed |
| CN-103772243-A | Preparation method of mesotrione | BEIJING YINGLI JINGHUA TECHNOLOGY DEV CO LTD | 2014-05-07 | — | — | CN | disclosed |
| EP-0534360-A1 | Method of preparing nitrotoluenesulfonic acids and sodium salts thereof | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1993-03-31 | — | — | EP | disclosed |
| US-3962251-A | NITRIC ACID | ALLIED CHEMICAL CORPORATION (US) | 1976-06-08 | — | — | US | disclosed |