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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.47 |
| ▸ | ADRB2 known ✓ | P07550 | 2/20 | 0.44 |
| ▸ | ADRB1 known ✓ | P08588 | 2/20 | 0.44 |
| ▸ | ADRB3 known ✓ | P13945 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | F2 | P00734 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | PRKCA | P17252 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
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 SCHEMBL7306062 | 1.00 | ALDH1A1 (0.55) | ALDH1A1LMNAF2TSHRTDP1 | |
| Water SCHEMBL1660792 | 1.00 | ALDH1A1 (0.55) | ALDH1A1LMNAF2TSHRTDP1 | |
| SCHEMBL1162598 | 0.98 | ALDH1A1 (0.57) | ALDH1A1LMNAF2TSHRTDP1 | |
| SCHEMBL670258 | 0.98 | ALDH1A1 (0.57) | ALDH1A1LMNAF2TSHRTDP1 | |
| SCHEMBL582331 | 0.98 | ALDH1A1 (0.57) | ALDH1A1LMNAF2TSHRTDP1 | |
| SCHEMBL420405 | 0.98 | ALDH1A1 (0.57) | ALDH1A1LMNAF2TSHRTDP1 | |
| Water SCHEMBL28195321 | 0.96 | ALDH1A1 (0.52) | ALDH1A1LMNAF2TSHRTDP1 | |
| Hydrochloric Acid SCHEMBL29837305 | 0.96 | ALDH1A1 (0.55) | ALDH1A1LMNAF2TSHRTDP1 | |
| SCHEMBL6665458 | 0.96 | ALDH1A1 (0.55) | ALDH1A1LMNAF2TSHRTDP1 | |
| Water SCHEMBL27446036 | 0.94 | ALDH1A1 (0.50) | ALDH1A1LMNAF2TSHRTDP1 |
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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8461334-B2 | Process for resolving zopiclone | CIPLA LIMITED (IN) | 2013-06-11 | — | — | US | disclosed |
| CN-101711236-B | N-oxide and/or di-N-oxide derivatives of dopamine receptor stabilizers/modulators displaying improved cardiovascular side-effects profiles | NSAB AF NEUROSEARCH SWEDEN AB (DK) | 2012-10-31 | — | — | CN | disclosed |
| CN-101878201-B | Fused indane compound | ASTELLAS PHARMA INC | 2012-09-05 | — | — | CN | disclosed |
| WO-2012007019-A1 | PROCESS FOR THE PREPARATION OF CLOPIDOGREL AND SALTS THEREOF | PHARMATHEN S.A. (GR) | 2012-01-19 | — | — | WO | disclosed |
| US-20110245499-A1 | Process for Resolving Zopiclone | CIPLA LIMITED (IN) | 2011-10-06 | — | — | US | disclosed |
| EP-2356121-A1 | PROCESS FOR RESOLVING ZOPICLONE | CIPLA LIMITED (IN) | 2011-08-17 | — | — | EP | disclosed |
| CN-101878201-A | Fused indane compound | ASTELLAS PHARMA INC | 2010-11-03 | — | — | CN | disclosed |
| CN-101861310-A | Method for preparing (3aR,4S,6R,6aS) -6-amino-2, 2-dimethyltetrahydro-3 aH-cyclopenta [ d ] [1,3] dioxol-4-ol dibenzoyl-L-tartrate and product of method | ASTRAZENECA AB | 2010-10-13 | — | — | CN | disclosed |
| US-7786304-B2 | Process for the preparation of eszopiclone | CENTAUR PHARMACEUTICAL PVT. LTD. (IN) | 2010-08-31 | — | — | US | disclosed |
| CN-101743218-A | Process for producing optically active trans-2-aminocyclohexanol and intermediate therefor | TORAY FINECHEMICALS CO LTD | 2010-06-16 | — | — | CN | disclosed |
| CN-1246850-A | 1,5-benzodiazepine derivatives | ZERIA PHARM CO LTD (JP) | 2000-03-08 | — | — | CN | disclosed |
| CN-1242013-A | Acid addition salts of optically active piperidine compounds and process for preparing the same | UBE INDUSTRIES (JP) | 2000-01-19 | — | — | CN | disclosed |
| CN-1200729-A | Optically active phenyl pyrimidine derivative as analgesic agent | GLAXO GROUP LTD (GB) | 1998-12-02 | — | — | CN | disclosed |
| US-5834499-A | TREATING GASTROINTESTINAL DISORDERS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1998-11-10 | — | — | US | disclosed |
| CN-1189822-A | Process for the prepn. of ropivacaine hydrochloride monohydrate | ASTRA AB (SE) | 1998-08-05 | — | — | CN | disclosed |
| CN-1036395-C | Piperazine derivatives | WYETH JOHN & BROTHER LTD (GB) | 1997-11-12 | — | — | CN | disclosed |
| CN-1160053-A | Process for preparation of enantiomerically pure imidazolyl compounds | DUPHAR INT RES (NL) | 1997-09-24 | — | — | CN | disclosed |
| EP-0749966-A1 | 5-HT 3 RECEPTOR AGONIST, NOVEL THIAZOLE DERIVATIVE, AND INTERMEDIATE THEREFOR | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1996-12-27 | — | — | EP | disclosed |
| CN-1076446-A | Bridged piperazine derivatives | WYETH JOHN & BROTHER LTD (GB) | 1993-09-22 | — | — | CN | disclosed |
| US-4089861-A | NEUROLEPTIC AGENT | HOFFMANN-LA ROCHE, INC. (US) | 1978-05-16 | — | — | 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 (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-20110245499-A1 | Process for Resolving Zopiclone | CYP3A5, CYP51A1, DHCR7 | SLC6A2 604/4885SLC6A3 278/4885ADRB2 404/4885 |
“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.