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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.39 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.35 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.35 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.35 |
| ▸ | PARP2 known ✓ | Q9UGN5 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KCNMA1 | Q12791 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | METAP2 | P50579 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | COMT | P21964 | 1/20 | 0.35 |
| ▸ | METAP1 | P53582 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL378660 | 0.98 | POLB (0.50) | POLBMAPK1ATMMAPTLMNA | |
| SCHEMBL9268431 | 0.82 | MAPK1 (0.47) | POLBMAPK1ATMMAPTLMNA | |
| SCHEMBL8146888 | 0.76 | MAPT (0.48) | MAPTLMNAACHEKCNMA1TSHR | |
| SCHEMBL2670682 | 0.76 | POLB (0.48) | POLBMAPK1ATMMAPTLMNA | |
| SCHEMBL3767410 | 0.76 | ACHE (0.39) | MAPTLMNAACHEKCNMA1TSHR | |
| SCHEMBL2113290 | 0.76 | MAPK1 (0.48) | POLBMAPK1ATMMAPTLMNA | |
| SCHEMBL8425686 | 0.76 | ACHE (0.39) | POLBMAPK1ATMMAPTLMNA | |
| SCHEMBL10734042 | 0.76 | SLC9A1 (0.48) | MAPTLMNAACHEKCNMA1TSHR | |
| SCHEMBL3282850 | 0.76 | GRM2 (0.50) | POLBMAPK1ATMMAPTLMNA | |
| SCHEMBL1154415 | 0.76 | MAPK1 (0.48) | POLBMAPK1ATMMAPTLMNA |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111683684-B | Methods for treating cysteamine-sensitive disorders | 硫创治疗公司 | 2024-07-02 | — | — | CN | disclosed |
| CN-111683684-A | Methods for treating cysteamine-sensitive disorders | 硫创治疗公司 | 2020-09-18 | — | — | CN | disclosed |
| US-8536173-B2 | Tetrahydroquinoxaline urea derivatives as modulators of 11-B-hydroxysteroid dehydrogenase type I | SANOFI (FR) | 2013-09-17 | — | — | US | disclosed |
| US-20120165337-A1 | TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-06-28 | — | — | US | disclosed |
| EP-2178834-A1 | THREE-FUNCTIONAL PSEUDO-PEPTIDIC REAGENT, AND USES AND APPLICATIONS THEREOF | UNIVERSITE DE ROUEN (FR) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009043986-A1 | THREE-FUNCTIONAL PSEUDO-PEPTIDIC REAGENT, AND USES AND APPLICATIONS THEREOF | UNIVERSITE DE ROUEN (FR) | 2009-04-09 | — | — | WO | disclosed |
| EP-0634396-B1 | Amino acid derivatives and their use as inhibitors of encephalinase | BIOPROJET SOC CIV (FR) | 1998-10-28 | — | — | EP | disclosed |
| EP-0437120-B1 | Pyridone derivatives, process for their preparation, novel obtained intermediates, their use as medicines and pharmaceutical compositions containing them | ROUSSEL UCLAF (FR) | 1995-08-02 | — | — | EP | disclosed |
| EP-0634396-A1 | Amino acid derivatives and their use as inhibitors of encephalinase | SOCIETE CIVILE BIOPROJET (FR) | 1995-01-18 | — | — | EP | disclosed |
| EP-0419327-B1 | Amino acid derivatives, method for their preparation and their therapeutic application | BIOPROJET SOC CIV (FR) | 1994-07-27 | — | — | EP | disclosed |
| WO-1994001434-A1 | BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES AS PAF ANTAGONISTS | LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) | 1994-01-20 | — | — | WO | disclosed |
| EP-0437120-A1 | Pyridone derivatives, process for their preparation, novel obtained intermediates, their use as medicines and pharmaceutical compositions containing them | ROUSSEL UCLAF (FR) | 1991-07-17 | — | — | EP | disclosed |
| WO-1991004246-A1 | METHOD FOR PREPARING AMINO ACID DERIVATIVES AND THERAPEUTICAL APPLICATIONS OF SAME | SOCIETE CIVILE BIOPROJET (FR) | 1991-04-04 | — | — | WO | disclosed |
| EP-0419327-A1 | Amino acid derivatives, method for their preparation and their therapeutic application | SOCIETE CIVILE BIOPROJET (FR) | 1991-03-27 | — | — | EP | disclosed |
| EP-0274453-A2 | Collagenase inhibitor derivatives, their preparation and pharmaceutical compositions containing them | Société anonyme dite: LABORATOIRE ROGER BELLON (FR) | 1988-07-13 | — | — | EP | 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-20120165337-A1 | TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF | NR2C2, CBR3, NR0B2 | ACHE 4242/4885CHRM1 54/4885ADRA1A 278/4885 |
“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.