Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Docusate. 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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.42 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Docusate SCHEMBL2917968 | 0.99 | RECQL (0.72) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL465322 | 0.99 | RECQL (0.76) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL11800314 | 0.97 | RECQL (0.74) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL3041223 | 0.97 | RECQL (0.78) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL9722552 | 0.97 | RECQL (0.78) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL4113 | 0.97 | RECQL (0.78) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL3176739 | 0.96 | RECQL (0.72) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL23781730 | 0.96 | RECQL (0.76) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL22588804 | 0.96 | RECQL (0.76) | RECQLCYP3A4TSHRTDP1ATM | |
| Docusate SCHEMBL21465350 | 0.96 | RECQL (0.76) | RECQLCYP3A4TSHRTDP1ATM |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115364010-A | Rosemary amino acid shampoo and preparation method thereof | 河南迷迭香生物科技有限公司 | 2022-11-22 | — | — | CN | claimed |
| US-11884896-B2 | Sanitizing soap preparation comprising a benzalkonium chloride/alkyl trimonium cationic surfactant combination | GPCP IP HOLDINGS LLC (US) | 2024-01-30 | — | — | US | disclosed |
| EP-4267709-A1 | SOIL REMOVAL ON COTTON VIA TREATMENT IN THE RINSE STEP FOR ENHANCED CLEANING IN THE SUBSEQUENT WASH | Ecolab USA Inc. (US) | 2023-11-01 | — | — | EP | disclosed |
| CN-115364010-A | Rosemary amino acid shampoo and preparation method thereof | 河南迷迭香生物科技有限公司 | 2022-11-22 | — | — | CN | disclosed |
| WO-2022140505-A1 | SOIL REMOVAL ON COTTON VIA TREATMENT IN THE RINSE STEP FOR ENHANCED CLEANING IN THE SUBSEQUENT WASH | ECOLAB USA INC. (US) | 2022-06-30 | — | — | WO | disclosed |
| US-20220195341-A1 | SOIL REMOVAL ON COTTON VIA TREATMENT IN THE RINSE STEP FOR ENHANCED CLEANING IN THE SUBSEQUENT WASH | ECOLAB USA INC. | 2022-06-23 | — | — | US | disclosed |
| US-20210196595-A1 | SANITIZING SOAP PREPARATIONS CONTAINING QUATERNARY AMMONIUM CHLORIDE AGENTS | GPCP IP HOLDINGS LLC (US) | 2021-07-01 | — | — | US | disclosed |
| US-10920174-B2 | Sanitizing soap preparations comprising an amphoteric/cationic surfactant mixture | GPCP IP HOLDINGS LLC (US) | 2021-02-16 | — | — | US | disclosed |
| CN-111378177-A | Energy absorption method based on force-induced responsive polymer with hetero-network structure | 翁秋梅 | 2020-07-07 | — | — | CN | disclosed |
| US-20190352578-A1 | SANITIZING SOAP PREPARATIONS COMPRISING QUATERNARY AMMONIUM CHLORIDE AGENTS | GEORGIA-PACIFIC CONSUMER PRODUCTS LP | 2019-11-21 | — | — | US | disclosed |
| CN-106455557-A | Fast acting disinfection composition | 龙沙股份有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-103958620-A | Coating composition for prevention of static charge | KAO CORP | 2014-07-30 | — | — | CN | disclosed |
| CN-100528965-C | Colorless transparent polyimide composite film and its production method | MITSUBISHI GAS CHEMICAL CO (JP) | 2009-08-19 | — | — | CN | disclosed |
| CN-1969013-A | Colorless transparent polyimide composite film and its production method | MITSUBISHI GAS CHEMICAL CO (JP) | 2007-05-23 | — | — | CN | disclosed |
| CN-1589496-A | Optimal Application of Phase Change Materials in Cooling Devices | MERCK PATENT GMBH (DE) | 2005-03-02 | — | — | CN | disclosed |
| US-5914309-A | COMPACTING, EXPOSING TO MICROWAVE RADIATION AND HOT AIR | HENKEL-ECOLAB GMBH & CO. OHG (DE) | 1999-06-22 | — | — | US | disclosed |
| EP-0341054-B1 | PROCESS FOR PREPARING INKS | SUN CHEMICAL CORPORATION (US) | 1993-03-03 | — | — | EP | disclosed |
| US-4990187-A | Process for preparing gravure base ink | SUN CHEMICAL CORPORATION (US) | 1991-02-05 | — | — | US | disclosed |
| EP-0341054-A1 | Process for preparing inks | SUN CHEMICAL CORPORATION (US) | 1989-11-08 | — | — | EP | disclosed |
| US-4096311-A | POST-TREATMENT OF ADDING WATER AND SURVACTANT, WET-WORKING | SCOTT PAPER COMPANY (US) | 1978-06-20 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20190352578-A1 | SANITIZING SOAP PREPARATIONS COMPRISING QUATERNARY AMMONIUM CHLORIDE AGENTS | CUTA, POLR1C, AGPS | CA2 736/4885MMP8 1752/4885RECQL 1036/4885 |
| US-20210196595-A1 | SANITIZING SOAP PREPARATIONS CONTAINING QUATERNARY AMMONIUM CHLORIDE AGENTS | CUTA, POLR1C, PPM1G | CA2 739/4885MMP8 1735/4885RECQL 1115/4885 |
| US-10920174-B2 | Sanitizing soap preparations comprising an amphoteric/cationic surfactant mixture | CUTA, PHOSPHO1, ALPP | CA2 206/4885MMP8 875/4885RECQL 1825/4885 |
| US-11884896-B2 | Sanitizing soap preparation comprising a benzalkonium chloride/alkyl trimonium cationic surfactant combination | CUTA, POLR1C, SCNN1G | CA2 1363/4885MMP8 1347/4885RECQL 2892/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.