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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.33 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.33 |
| ▸ | ACLY | P53396 | 3/20 | 0.48 |
| ▸ | CPT2 | P23786 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL2966012 | 0.98 | ACLY (0.50) | ACLYCPT2ALDH1A1HMGCRCHRM1 | |
| Water SCHEMBL2968025 | 0.88 | ACLY (0.64) | ACLYCPT2ALDH1A1HMGCRCHRM1 | |
| Potassium Ion SCHEMBL2961265 | 0.86 | ACLY (0.67) | ACLYCPT2ALDH1A1HMGCRCHRM1 | |
| Water SCHEMBL2956339 | 0.86 | CA4 (0.41) | ACLYCPT2CA4 | |
| Potassium Ion SCHEMBL337213 | 0.83 | CA4 (0.43) | ACLYCPT2CA4 | |
| Potassium Ion SCHEMBL2466395 | 0.82 | CA4 (0.41) | ACLYCPT2CA4 | |
| SCHEMBL31683881 | 0.82 | ACLY (0.67) | ACLYCPT2ALDH1A1HMGCRCHRM1 | |
| Potassium Ion SCHEMBL2706203 | 0.82 | CA4 (0.41) | ACLYCPT2CA4 | |
| Potassium Ion SCHEMBL1767658 | 0.82 | CA4 (0.41) | ACLYCPT2CA4 | |
| Potassium Ion SCHEMBL29489145 | 0.82 | CA4 (0.41) | ACLYCPT2CA4 |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111712510-B | Method for enhancing impurity removal during protein a chromatography | 建新公司 | 2024-06-14 | — | — | CN | disclosed |
| CN-104080448-B | The acquisition method of creatine composition and the creatine composition used in the acquisition method and use medicament and food containing creatine made of the creatine composition | 西泽广久 | 2018-02-13 | — | — | CN | disclosed |
| US-7772428-B2 | Creatine hydroxycitric acids salts and methods for their production and use in individuals | Northern Innovations and Formulations (CA) | 2010-08-10 | — | — | US | disclosed |
| WO-2009079739-A1 | THE USE OF CREATINE PYROGLUTAMICACID SALT TO FACILITATE INCREASED NEURAL HEALTH | NEW CELL FORMULATIONS LTD. (CA) | 2009-07-02 | — | — | WO | disclosed |
| US-7511164-B2 | Enhanced bioavailability; reacting creatine, fatty acid and thionyl halide | MULTI FORMULATIONS LTD (CA) | 2009-03-31 | — | — | US | disclosed |
| US-7511163-B2 | Creatine-fatty acids | MULTI FORMULATIONS LTD (CA) | 2009-03-31 | — | — | US | disclosed |
| US-7482474-B2 | Creatine pyroglutamic acid salts and methods for their production and use in individuals | NEW CELL FORMULATIONS, LTD. (CA) | 2009-01-27 | — | — | US | disclosed |
| US-7479560-B2 | Creatine pyroglutamic acid salts and methods for their production and use in individuals | NEW CELL FORMULATIONS, LTD. (CA) | 2009-01-20 | — | — | US | disclosed |
| US-7465812-B2 | Creatine pyroglutamic acid salts and methods for their production and use in individuals | NEW CELL FORMULATIONS LTD. (CA) | 2008-12-16 | — | — | US | disclosed |
| US-20080300309-A1 | Creatine Hydroxycitric Acids Salts and Methods for their Production and use in Individuals | NEW CELL FORMULATIONS LTD (CA) | 2008-12-04 | — | — | US | disclosed |
| US-20080064737-A1 | Creatine pyroglutamic acid salts and methods for their production and use in individuals | NEW CELL FORMULATIONS LTD. (CA) | 2008-03-13 | — | — | US | disclosed |
| US-20080064738-A1 | Creatine pyroglutamic acid salts and methods for their production and use in individuals | NEW CELL FORMULATIONS LTD. (CA) | 2008-03-13 | — | — | US | disclosed |
| US-20080064739-A1 | Creatine pyroglutamic acid salts and methods for their production and use in individuals | NEW CELL FORMULATIONS LTD. (CA) | 2008-03-13 | — | — | US | disclosed |
| US-7329763-B1 | Creatine pyroglutamic acid salts and methods for their production and use in individuals | NEW CELL FORMULATIONS LTD (CA) | 2008-02-12 | — | — | US | disclosed |
| EP-1846368-A4 | CREATINE HYDROXYCITRIC ACIDS SALTS AND METHODS FOR THEIR PRODUCTION AND USE IN INDIVIDUALS | NEW HC FORMULATIONS LTD (CA) | 2008-01-23 | — | — | EP | disclosed |
| US-7319157-B1 | Creatine-fatty acids | MULTI FORMULATIONS LTD. (CA) | 2008-01-15 | — | — | US | disclosed |
| US-7314945-B1 | Creatine-fatty acids | MULTI FORMULATIONS LTD. (CA) | 2008-01-01 | — | — | US | disclosed |
| EP-1846368-A1 | CREATINE HYDROXYCITRIC ACIDS SALTS AND METHODS FOR THEIR PRODUCTION AND USE IN INDIVIDUALS | New HC Formulations Ltd. (CA) | 2007-10-24 | — | — | EP | disclosed |
| US-20060194877-A1 | Creatine hydroxycitric acids salts and methods for their production and use in individuals | NEW CELL FORMULATIONS LTD. (CA) | 2006-08-31 | — | — | US | disclosed |
| WO-2006081682-A1 | CREATINE HYDROXYCITRIC ACIDS SALTS AND METHODS FOR THEIR PRODUCTION AND USE IN INDIVIDUALS | NEW CELL FORMULATIONS LTD. (CA) | 2006-08-10 | — | — | 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 (4 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-20060194877-A1 | Creatine hydroxycitric acids salts and methods for their production and use in individuals | CKMT1A; CKMT1B, GYS1, PYGM | CHRM1 1805/4885ADRA1A 1603/4885ACLY 62/4885 |
| US-20080064739-A1 | Creatine pyroglutamic acid salts and methods for their production and use in individuals | PYGM, CKMT1A; CKMT1B, GYS1 | CHRM1 4332/4885ADRA1A 4698/4885ACLY 74/4885 |
| US-20080064737-A1 | Creatine pyroglutamic acid salts and methods for their production and use in individuals | PYGM, CKMT1A; CKMT1B, GYS1 | CHRM1 4332/4885ADRA1A 4698/4885ACLY 74/4885 |
| US-20080300309-A1 | Creatine Hydroxycitric Acids Salts and Methods for their Production and use in Individuals | CKMT1A; CKMT1B, GYS1, PYGM | CHRM1 1805/4885ADRA1A 1603/4885ACLY 62/4885 |
“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.