Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. 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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.36 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.35 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | APEX1 | P27695 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.36 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.36 |
| ▸ | HBB | P68871 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 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 | |
|---|---|---|---|---|
| SCHEMBL8925217 | 0.68 | ALDH1A1 (0.40) | ALDH1A1TDP1POLBMAPTAPEX1 | |
| SCHEMBL571231 | 0.65 | — | — | |
| SCHEMBL17033080 | 0.64 | ALDH1A1 (0.40) | ALDH1A1TDP1POLBMAPTAPEX1 | |
| Formic Acid SCHEMBL4222819 | 0.64 | ALDH1A1 (0.43) | ALDH1A1TDP1POLBMAPTAPEX1 | |
| SCHEMBL6421403 | 0.63 | TSHR (0.46) | ALDH1A1TDP1POLBKMT2AHSD17B10 | |
| SCHEMBL315507 | 0.63 | — | — | |
| SCHEMBL5325186 | 0.62 | ALOX5 (0.47) | ALDH1A1TDP1POLBKMT2AEPHX2 | |
| SCHEMBL983428 | 0.62 | — | — | |
| SCHEMBL28542440 | 0.62 | ALDH1A1 (0.41) | ALDH1A1TDP1POLBKMT2AMEN1 | |
| Furfuryl Alcohol SCHEMBL28276103 | 0.62 | ALDH1A1 (0.44) | ALDH1A1TDP1POLBMAPTAPEX1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8097731-B2 | Reaction products of mercaptobenzothiazoles, mercaptothiazolines, and mercaptobenzimidalzoles with epoxides as lubricant additives | CROMPTON CORPORATION (US) | 2012-01-17 | — | — | US | disclosed |
| US-8048832-B2 | 1,3 dithiolane-2-thione additives for lubricants and fuels | CHEMTURA CORPORATION (US) | 2011-11-01 | — | — | US | disclosed |
| EP-1654342-B1 | REACTION PRODUCTS OF MERCAPTOBENZOTHIAZOLES, MERCAPTOTHIAZOLINES, AND MERCAPTOBENZIMIDAZOLES WITH EPOXIDES AS LUBRICANT ADDITIVES | CHEMTURA CORP (US) | 2011-01-19 | — | — | EP | disclosed |
| US-20090181870-A1 | 1,3 DITHIOLANE-2-THIONE ADDITIVES FOR LUBRICANTS AND FUELS | CHEMTURA CORPORATION (US) | 2009-07-16 | — | — | US | disclosed |
| US-7541319-B2 | 1,3-dithiolane-2-thione additives for lubricants and fuels | CHEMTURA CORPORATION (US) | 2009-06-02 | — | — | US | disclosed |
| US-20090076279-A1 | REACTION PRODUCTS OF MERCAPTOBENZOTHIAZOLES, MERCAPTOTHIAZOLINES, AND MERCAPTOBENZIMIDAZOLES WITH EPOXIDES AS LUBRICANT ADDITIVES | CHEMTURA CORPORATION | 2009-03-19 | — | — | US | disclosed |
| US-7442673-B2 | Reaction products of mercaptobenzothiazoles, mercaptothiazolines, and mercaptobenzimidazoles with epoxides as lubricant additives | CROMPTON CORPORATION (US) | 2008-10-28 | — | — | US | disclosed |
| EP-1809726-A2 | 1,3-DITHIOLANE-2-THIONE ADDITIVES FOR LUBRICANTS AND FUELS | CHEMTURA CORPORATION (US) | 2007-07-25 | — | — | EP | disclosed |
| EP-1654342-A1 | REACTIONS PRODUCTS OF MERCAPTOBENZOTHIAZOLES, MERCAPTOTHIAZOLINES, AND MERCAPTOBENZIMIDAZOLES WITH EPOXIDES AS LUBRICANT ADDITIVES | CHEMTURA CORPORATION (US) | 2006-05-10 | — | — | EP | disclosed |
| WO-2006047011-A2 | 1,3-DITHIOLANE-2-THIONE ADDITIVES FOR LUBRICANTS AND FUELS | CHEMTURA CORPORATION (US) | 2006-05-04 | — | — | WO | disclosed |
| US-20060089273-A1 | 1,3-Dithiolane-2-thione additives for lubricants and fuels | LANXESS SOLUTIONS US INC. | 2006-04-27 | — | — | US | disclosed |
| WO-2005019396-A1 | REACTIONS PRODUCTS OF MERCAPTOBENZOTHIAZOLES, MERCAPTOTHIAZOLINES, AND MERCAPTOBENZIMIDAZOLES WITH EPOXIDES AS LUBRICANT ADDITIVES | CHEMTURA CORPORATION (US) | 2005-03-03 | — | — | WO | disclosed |
| US-20050037931-A1 | Reaction products of mercaptobenzothiazoles, mercaptothiazolines, and mercaptobenzimidazoles with epoxides as lubricant additives | CHEMTURA CORPORATION | 2005-02-17 | — | — | 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 (2 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-20090076279-A1 | REACTION PRODUCTS OF MERCAPTOBENZOTHIAZOLES, MERCAPTOTHIAZOLINES, AND MERCAPTOBENZIMIDAZOLES WITH EPOXIDES AS LUBRICANT ADDITIVES | EPX, CYP2E1, AOX1 | MEN1 3491/4885CHRM2 4297/4885ALOX5 15/4885 |
| US-20050037931-A1 | Reaction products of mercaptobenzothiazoles, mercaptothiazolines, and mercaptobenzimidazoles with epoxides as lubricant additives | CBR1, CBR3, OR10J3 | MEN1 4314/4885CHRM2 116/4885ALOX5 68/4885 |
“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.