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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.41 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.41 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | HTR6 | P50406 | 2/20 | 0.39 |
| ▸ | ACP3 | P15309 | 2/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29367463 | 1.00 | CA2 (0.41) | CA2CA1CA9HTR6ACP3 | |
| SCHEMBL11599465 | 0.96 | CA2 (0.41) | CA2CA1CA9HTR6ACP3 | |
| SCHEMBL29763080 | 0.78 | KEAP1 (0.43) | CA2CA1CA9ACP3KEAP1 | |
| SCHEMBL35772 | 0.78 | KEAP1 (0.43) | CA2CA1CA9ACP3KEAP1 | |
| SCHEMBL11651931 | 0.77 | KEAP1 (0.42) | CA2CA1CA9ACP3KEAP1 | |
| SCHEMBL1719758 | 0.77 | KEAP1 (0.42) | CA2CA1CA9ACP3KEAP1 | |
| SCHEMBL11606350 | 0.77 | KEAP1 (0.42) | CA2CA1CA9ACP3KEAP1 | |
| Benzene SCHEMBL27652672 | 0.76 | ACP3 (0.44) | CA2CA1CA9ACP3KEAP1 | |
| SCHEMBL758525 | 0.71 | CA2 (0.42) | CA2CA1CA9HTR6ACP3 | |
| SCHEMBL17502201 | 0.70 | ALDH1A1 (0.46) | CA2CA1CA9ACP3KEAP1 |
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 144 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115140997-B | Coal-based solid waste type anti-cracking agent for cement stabilized pavement base material | 交通运输部公路科学研究所 | 2023-01-17 | — | — | CN | claimed |
| CN-115140997-A | Coal-based solid waste type anti-cracking agent for cement stabilized pavement base material | 交通运输部公路科学研究所 | 2022-10-04 | — | — | CN | claimed |
| US-6620961-B1 | Plant safening agents such as methyl N-(3-phenylbenzyl)-carbamate, used for prevention of plant diseases caused oomycetes, ascomycetes, deuteromycetes or basidiomycetes | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2003-09-16 | — | — | US | claimed |
| US-5730973-A | PESTICIDES | HOECHST SCHERING AGREVO GMBH (DE) | 1998-03-24 | — | — | US | claimed |
| US-4110073-A | COMBINATION OF ANION-ACTIVE DISPERSING AGENTS | CIBA-GEIGY AG (CH) | 1978-08-29 | — | — | US | claimed |
| CN-117587413-A | Stabilizing reagent for pickling brass rod wires, pickling solution and application method | 宁波金田铜业(集团)股份有限公司 | 2024-02-23 | — | — | CN | disclosed |
| CN-115943951-A | High-selectivity water suspension control agent and preparation method thereof | 上海生农生化制品股份有限公司 | 2023-04-11 | — | — | CN | disclosed |
| CN-111286090-A | Preparation method of sulfur dispersion for latex sponge | 江苏金世缘乳胶制品股份有限公司 | 2020-06-16 | — | — | CN | disclosed |
| CN-105130326-A | Mixed thermal-insulation mortar with good performances and high construction efficiency and preparation method thereof | ZONGYANG TIANZHU NEW BUILDING MATERIAL CO LTD | 2015-12-09 | — | — | CN | disclosed |
| EP-2017268-B1 | 1,2-BENZISOTHIAZOLE DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE-CONTROLLING AGENT | KUMIAI CHEMICAL INDUSTRY CO (JP) | 2013-01-16 | — | — | EP | disclosed |
| EP-2039690-B1 | 3,4-DIHALOGENOISOTHIAZOLE DERIVATIVE AND AGENT FOR CONTROLLING AGRICULTURAL OR HORTICULTURAL PLANT DISEASE | KUMIAI CHEMICAL INDUSTRY CO (JP) | 2012-01-11 | — | — | EP | disclosed |
| US-8003675-B2 | 3,4-dihalogenoisothiazole derivative, and agricultural or horticultural plant disease-controlling agent | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2011-08-23 | — | — | US | disclosed |
| US-3987187-A | FUNGICIDAL DISPERSIONS OF 2-METHYL-5,6-DIHYDROPYRAN-3-CARBOXYLIC ACID ANILIDE | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-10-19 | — | — | US | disclosed |
| US-3980678-A | Anthraquinone disperse dyes | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1976-09-14 | — | — | US | disclosed |
| US-3970675-A | ANTHRONE-AMIDINE | CIBA-GEIGY CORPORATION (US) | 1976-07-20 | — | — | US | disclosed |
| US-3962304-A | HERBICIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-06-08 | — | — | US | disclosed |
| US-3961052-A | NITROGEN HETEROCYCLES | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-06-01 | — | — | US | disclosed |
| US-3961049-A | FUNGICIDES, MITICIDES | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JA) | 1976-06-01 | — | — | US | disclosed |
| US-3955919-A | MONOAZO DYES | MITSUI TOATSU CHEMICALS, INCORPORATED (JA) | 1976-05-11 | — | — | US | disclosed |
| US-3945989-A | Fluoro triazine containing water insoluble azo dyestuff | CIBA-GEIGY AG (CH) | 1976-03-23 | — | — | US | disclosed |