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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTTP | P55157 | 14/20 | 0.74 |
| ▸ | APOB | P04114 | 9/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | SMO | Q99835 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL4196421 | 1.00 | MTTP (0.74) | MTTPAPOBKDM4EGAAALDH1A1 | |
| SCHEMBL3165562 | 0.99 | MTTP (0.75) | MTTPAPOBKDM4EGAAALDH1A1 | |
| SCHEMBL4200399 | 0.98 | MTTP (0.74) | MTTPAPOBKDM4EGAAALDH1A1 | |
| Potassium SCHEMBL4200253 | 0.98 | MTTP (0.74) | MTTPAPOBKDM4EGAAALDH1A1 | |
| SCHEMBL4200245 | 0.98 | MTTP (0.74) | MTTPAPOBKDM4EGAAALDH1A1 | |
| SCHEMBL4200403 | 0.98 | MTTP (0.74) | MTTPAPOBKDM4EGAAALDH1A1 | |
| Potassium Ion SCHEMBL4200248 | 0.90 | MTTP (0.70) | MTTPAPOBKDM4EGAAALDH1A1 | |
| SCHEMBL4200400 | 0.90 | MTTP (0.70) | MTTPAPOBKDM4EGAAALDH1A1 | |
| Potassium SCHEMBL4200370 | 0.89 | MTTP (0.61) | MTTPAPOBKDM4EALDH1A1 | |
| SCHEMBL4200362 | 0.89 | MTTP (0.61) | MTTPAPOBKDM4EALDH1A1 |
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-7482368-B2 | Triamide-substituted heterobicyclic compounds | PFIZER INC (US) | 2009-01-27 | — | — | US | disclosed |
| EP-1404653-B1 | TRIAMIDE-SUBSTITUTED INDOLES, BENZOFURANES AND BENZOTHIOPHENES AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND/OR APOLIPOPROTEIN B (APO B) SECRETION | PFIZER PROD INC (US) | 2008-08-20 | — | — | EP | disclosed |
| US-7348355-B2 | Treating obesity with the Microsomal triglyceride transfer protein inhibitor (S) N-{2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl}-1-methyl-5-[4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamido]-1H-indole-2-carboxamide and another lipid lowering agent such as a statin or fibrate | PFIZER INC. (US) | 2008-03-25 | — | — | US | disclosed |
| US-20060194772-A1 | Triamide-substituted heterobicyclic compounds | PFIZER INC | 2006-08-31 | — | — | US | disclosed |
| US-20050288335-A1 | Triamide-substituted heterobicyclic compounds | PFIZER INC | 2005-12-29 | — | — | US | disclosed |
| US-6979692-B2 | such as (S)-1-ethyl-5-[(4'-trifluoromethyl-biphenyl-2-carbonyl)-amino]-1H-indole-2-carboxylic acid-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]amide; for treatment of obesity and lipid disorders; diabetes | PFIZER INC. (US) | 2005-12-27 | — | — | US | disclosed |
| US-6949572-B2 | Triamide-substituted heterobicyclic compounds | PFIZER INC. (US) | 2005-09-27 | — | — | US | disclosed |
| US-20050080108-A1 | Triamide-substituted heterobicyclic compounds | PFIZER INC | 2005-04-14 | — | — | US | disclosed |
| US-20040087625-A1 | Triamide-substituted heterobicyclic compounds | PFIZER INC | 2004-05-06 | — | — | US | disclosed |
| US-6720351-B2 | 1H-INDOLE-2-CARBOXYLIC ACID (2-(BENZYL(METHYL)AMINO) -2-OXO-1-PHENYLETHYL)AMIDES; TRIAMIDE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND APOLIPOPROTEIN B (APO B) INHIBITORS; OBESITY; ANTILIPEMIC AGENTS | PFIZER INC. | 2004-04-13 | — | — | US | disclosed |
| EP-1404653-A1 | TRIAMIDE-SUBSTITUTED INDOLES, BENZOFURANES AND BENZOTHIOPHENES AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND/OR APOLIPOPROTEIN B (APO B) SECRETION | Pfizer Products Inc. (US) | 2004-04-07 | — | — | EP | disclosed |
| US-20030187053-A1 | Triamide-substituted heterobicyclic compounds | PFIZER INC. | 2003-10-02 | — | — | US | disclosed |
| WO-2003002533-A1 | TRIAMIDE-SUBSTITUTED INDOLES, BENZOFURANES AND BENZOTHIOPHENES AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND/OR APOLIPOPROTEIN B (APO B) SECRETION | PFIZER PRODUCTS INC. (US) | 2003-01-09 | — | — | 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 (5 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-20060194772-A1 | Triamide-substituted heterobicyclic compounds | APOB, LIPC, MTTP | MTTP 3/4885APOB 1/4885KDM4E 3505/4885 |
| US-20040087625-A1 | Triamide-substituted heterobicyclic compounds | APOB, LIPC, MTTP | MTTP 3/4885APOB 1/4885KDM4E 4060/4885 |
| US-20050288335-A1 | Triamide-substituted heterobicyclic compounds | APOB, LIPC, MTTP | MTTP 3/4885APOB 1/4885KDM4E 3505/4885 |
| US-20030187053-A1 | Triamide-substituted heterobicyclic compounds | APOB, LIPC, MTTP | MTTP 3/4885APOB 1/4885KDM4E 4060/4885 |
| US-20050080108-A1 | Triamide-substituted heterobicyclic compounds | APOB, LIPC, MTTP | MTTP 3/4885APOB 1/4885KDM4E 3531/4885 |
“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.