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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 2/20 | 0.58 |
| ▸ | DPP4 known ✓ | P27487 | 2/20 | 0.52 |
| ▸ | GRIK1 known ✓ | P39086 | 1/20 | 0.50 |
| ▸ | GRIK2 known ✓ | Q13002 | 1/20 | 0.50 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.50 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.50 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.50 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.50 |
| ▸ | SLC7A5 | Q01650 | 3/20 | 0.59 |
| ▸ | ALPI | P09923 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | XIAP | P98170 | 1/20 | 0.58 |
| ▸ | PTPRA | P18433 | 1/20 | 0.52 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.52 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.52 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 2/20 | 0.51 |
| ▸ | MC4R | P32245 | 1/20 | 0.51 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | TPH1 | P17752 | 1/20 | 0.50 |
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 SCHEMBL8721103 | 1.00 | SLC7A5 (0.59) | SLC7A5PTGS1ALPIPKMXIAP | |
| Water SCHEMBL7729304 | 1.00 | SLC7A5 (0.59) | SLC7A5PTGS1ALPIPKMXIAP | |
| Water SCHEMBL4754409 | 1.00 | SLC7A5 (0.59) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL26444 | 0.98 | SLC7A5 (0.61) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL26443 | 0.98 | SLC7A5 (0.61) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL437181 | 0.98 | SLC7A5 (0.61) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL503312 | 0.98 | SLC7A5 (0.61) | SLC7A5PTGS1ALPIPKMXIAP | |
| Hydrochloric Acid SCHEMBL22285084 | 0.97 | SLC7A5 (0.59) | SLC7A5PTGS1ALPIPKMXIAP | |
| Hydrochloric Acid SCHEMBL2724117 | 0.97 | SLC7A5 (0.59) | SLC7A5PTGS1ALPIPKMXIAP | |
| Hydrochloric Acid SCHEMBL8716271 | 0.97 | SLC7A5 (0.59) | SLC7A5PTGS1ALPIPKMXIAP |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008018090-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF ZOLMITRIPTAN | MATRIX LABORATORIES LTD (IN) | 2008-02-14 | — | — | WO | claimed |
| EP-4425181-A1 | COMPOSITION FOR DETECTING OR MEASURING ANALYTE | Bertis Inc (KR) | 2024-09-04 | — | — | EP | disclosed |
| WO-2024118602-A1 | COMPOSITIONS AND METHODS FOR REDUCING IMMUNE INTOLERANCE AND TREATING AUTOIMMUNE DISORDERS | LAPIX THERAPEUTICS, INC. (US) | 2024-06-06 | — | — | WO | disclosed |
| US-20240173389-A1 | Compositions and Methods For Reducing Immune Intolerance | LAPIX THERAPEUTICS, INC. (US) | 2024-05-30 | — | — | US | disclosed |
| EP-4304643-A1 | COMPOSITIONS AND METHODS FOR REDUCING IMMUNE INTOLERANCE | Lapix Therapeutics, Inc. (US) | 2024-01-17 | — | — | EP | disclosed |
| WO-2023075435-A1 | COMPOSITION FOR DETECTING OR MEASURING ANALYTE | 주식회사 베르티스 | 2023-05-04 | — | — | WO | disclosed |
| WO-2022192899-A9 | COMPOSITIONS AND METHODS FOR REDUCING IMMUNE INTOLERANCE | LAPIX THERAPEUTICS, INC. (US) | 2022-11-10 | — | — | WO | disclosed |
| WO-2022192899-A1 | COMPOSITIONS AND METHODS FOR REDUCING IMMUNE INTOLERANCE | LAPIX THERAPEUTICS, INC. (US) | 2022-09-15 | — | — | WO | disclosed |
| US-20220283131-A1 | COMPOSITION FOR DETECTING OR MEASURING ANALYTES | BERTIS CO., LTD. (KR) | 2022-09-08 | — | — | US | disclosed |
| WO-2022050529-A1 | COMPOSITION FOR DETECTING OR MEASURING ANALYTE | ㈜베르티스 | 2022-03-10 | — | — | WO | disclosed |
| CN-101724017-B | 4-nitro-L-phenylalanine dipeptide derivatives as well as preparation method and applications thereof | UNIV SOUTHWEST | 2012-07-25 | — | — | CN | disclosed |
| CN-101724017-A | 4-nitro-L-phenylalanine dipeptide derivatives as well as preparation method and applications thereof | CHENGDU DIAO PHARMACEUTICAL GR | 2010-06-09 | — | — | CN | disclosed |
| WO-2008018090-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF ZOLMITRIPTAN | MATRIX LABORATORIES LTD (IN) | 2008-02-14 | — | — | WO | disclosed |
| EP-0891325-B1 | PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | SEARLE & CO (US) | 2002-02-06 | — | — | EP | disclosed |
| EP-1157985-A1 | Para- substituted phenylene derivatives and their use as integrin antagonists | G.D. SEARLE & CO. (US) | 2001-11-28 | — | — | EP | disclosed |
| US-6251944-B1 | (VITRONECTIN RECEPTOR) INTEGRIN ANTAGONIST, USEFUL FOR TREATING ANGIOGENESIS, TUMOR GROWTH, TUMOR METASTASIS, OSTEOPOROSIS AND HUMORAL HYPERCALCEMIA OF MALIGNANCY | G. D. SEARLE & COMPANY | 2001-06-26 | — | — | US | disclosed |
| US-5952381-A | SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS | G. D. SEARLE & CO. (US) | 1999-09-14 | — | — | US | disclosed |
| EP-0891325-A1 | PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1999-01-20 | — | — | EP | disclosed |
| WO-1997036859-A1 | PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1997-10-09 | — | — | 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 (1 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-20240173389-A1 | Compositions and Methods For Reducing Immune Intolerance | TST, HLA-DRB1, CD74 | PTGS1 1164/4885DPP4 3208/4885GRIK1 1528/4885 |
“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.