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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | STAT6 | P42226 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | TNF | P01375 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL222667 | 0.98 | TDP1 (0.54) | TDP1HTTFGFR1LMNASMN1; SMN2 | |
| Sulfuric Acid SCHEMBL16346886 | 0.88 | TDP1 (0.46) | TDP1HTTFGFR1LMNASMN1; SMN2 | |
| Guanidine SCHEMBL4196962 | 0.88 | TDP1 (0.46) | TDP1HTTFGFR1LMNASMN1; SMN2 | |
| Pyrimidine SCHEMBL5798167 | 0.86 | TDP1 (0.44) | TDP1HTTFGFR1LMNASMN1; SMN2 | |
| SCHEMBL2489876 | 0.76 | TDP1 (0.56) | TDP1HTTFGFR1LMNASMN1; SMN2 | |
| SCHEMBL7196401 | 0.73 | TDP1 (0.58) | TDP1HTTFGFR1LMNASMN1; SMN2 | |
| SCHEMBL3966477 | 0.71 | TDP1 (0.73) | TDP1HTTLMNASMN1; SMN2TNF | |
| SCHEMBL17265864 | 0.70 | FGFR1 (0.35) | FGFR1LMNAPOLBHSD17B10 | |
| SCHEMBL9062626 | 0.70 | TDP1 (0.54) | TDP1HTTFGFR1LMNASMN1; SMN2 | |
| SCHEMBL5399 | 0.70 | TDP1 (0.59) | TDP1HTTLMNASMN1; SMN2POLB |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10731159-B2 | Cationic lipid | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2020-08-04 | — | — | US | disclosed |
| US-20200080086-A1 | CATIONIC LIPID | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2020-03-12 | — | — | US | disclosed |
| EP-3020701-B1 | NOVEL LIPID | DAIICHI SANKYO CO LTD (JP) | 2018-09-26 | — | — | EP | disclosed |
| US-20180051285-A1 | CATIONIC LIPID | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2018-02-22 | — | — | US | disclosed |
| US-9803199-B2 | Cationic lipid | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2017-10-31 | — | — | US | disclosed |
| US-20160257951-A1 | NOVEL LIPID | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2016-09-08 | — | — | US | disclosed |
| EP-3020701-A1 | NOVEL LIPID | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2016-05-18 | — | — | EP | disclosed |
| EP-2379540-B1 | DIPEPTOID PRODRUGS AND THE USE THEREOF | BAYER IP GMBH (DE) | 2014-10-22 | — | — | EP | disclosed |
| US-7067527-B2 | Thienopyridine derivatives, their production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-06-27 | — | — | US | disclosed |
| EP-1076563-B1 | DIPEPTIDE CASPASE INHIBITORS AND THE USE THEREOF | CYTOVIA INC (US) | 2005-05-11 | — | — | EP | disclosed |
| EP-1259515-B1 | THIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | TAKEDA PHARMACEUTICAL (JP) | 2004-11-10 | — | — | EP | disclosed |
| US-20040054183-A1 | Thienopyridine derivatives, their production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-03-18 | — | — | US | disclosed |
| US-6653476-B2 | Antiinflammatory and antiarthritic agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-11-25 | — | — | US | disclosed |
| US-20030130517-A1 | Thienopyridine derivatives , their production and use | TAKEDA CHEMICAL INDUSTRIES LTD. (JP) | 2003-07-10 | — | — | US | disclosed |
| EP-1261606-A1 | SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION | Bayer Aktiengesellschaft (DE) | 2002-12-04 | — | — | EP | disclosed |
| EP-1259515-A2 | THIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-11-27 | — | — | EP | disclosed |
| WO-2001064685-A2 | THIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-09-07 | — | — | WO | disclosed |
| WO-2001047919-A1 | SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION | BAYER AKTIENGESELLSCHAFT (DE) | 2001-07-05 | — | — | WO | 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 (6 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-20160257951-A1 | NOVEL LIPID | NPC1L1, CETP, LIPC | MEN1 2761/4885TDP1 2898/4885HTT 2488/4885 |
| US-20180051285-A1 | CATIONIC LIPID | CETP, NPC1L1, LIPA | MEN1 2072/4885TDP1 2800/4885HTT 1592/4885 |
| US-20200080086-A1 | CATIONIC LIPID | CETP, NPC1L1, LIPA | MEN1 2072/4885TDP1 2800/4885HTT 1592/4885 |
| US-20030130517-A1 | Thienopyridine derivatives , their production and use | ALK, HRH2, TBXA2R | MEN1 4809/4885TDP1 1307/4885HTT 979/4885 |
| US-10731159-B2 | Cationic lipid | CETP, NPC1L1, LIPA | MEN1 2072/4885TDP1 2800/4885HTT 1592/4885 |
| US-20040054183-A1 | Thienopyridine derivatives, their production and use | ALK, HRH2, TBXA2R | MEN1 4809/4885TDP1 1307/4885HTT 979/4885 |
“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.