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 | |
|---|---|---|---|---|
| ▸ | HTR2C known ✓ | P28335 | 6/20 | 0.78 |
| ▸ | HTR1A known ✓ | P08908 | 4/20 | 0.78 |
| ▸ | HTR2A known ✓ | P28223 | 4/20 | 0.78 |
| ▸ | HTR2B known ✓ | P41595 | 4/20 | 0.78 |
| ▸ | HTR7 known ✓ | P34969 | 2/20 | 0.78 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.78 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.78 |
| ▸ | HTR1D known ✓ | P28221 | 2/20 | 0.66 |
| ▸ | HTR1B known ✓ | P28222 | 2/20 | 0.66 |
| ▸ | SCN9A known ✓ | Q15858 | 2/20 | 0.59 |
| ▸ | HTR3E known ✓ | A5X5Y0 | 1/20 | 0.55 |
| ▸ | HTR3B known ✓ | O95264 | 1/20 | 0.55 |
| ▸ | HTR1E known ✓ | P28566 | 1/20 | 0.55 |
| ▸ | HTR1F known ✓ | P30939 | 1/20 | 0.55 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.55 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.55 |
| ▸ | HTR5A known ✓ | P47898 | 1/20 | 0.55 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.55 |
| ▸ | HTR4 known ✓ | Q13639 | 1/20 | 0.55 |
| ▸ | HTR3D known ✓ | Q70Z44 | 1/20 | 0.55 |
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 SCHEMBL27717537 | 1.00 | HTR2C (0.78) | HTR2CNPSR1KDM4EHTR1AHTR2A | |
| SCHEMBL5110752 | 0.99 | HTR2C (0.80) | HTR2CNPSR1KDM4EHTR1AHTR2A | |
| SCHEMBL5066582 | 0.99 | HTR2C (0.80) | HTR2CNPSR1KDM4EHTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL5062770 | 0.97 | HTR2C (0.78) | HTR2CNPSR1KDM4EHTR1AHTR2A | |
| Oxitriptan SCHEMBL10703675 | 0.93 | NPSR1 (0.90) | HTR2CNPSR1KDM4EHTR1AHTR2A | |
| Oxitriptan SCHEMBL29189810 | 0.89 | NPSR1 (0.97) | HTR2CNPSR1KDM4EHTR1AHTR2A | |
| Oxitriptan SCHEMBL29189812 | 0.89 | NPSR1 (0.97) | HTR2CNPSR1KDM4EHTR1AHTR2A | |
| Oxitriptan SCHEMBL29189796 | 0.89 | NPSR1 (0.97) | HTR2CNPSR1KDM4EHTR1AHTR2A | |
| Oxitriptan SCHEMBL29189800 | 0.89 | NPSR1 (0.97) | HTR2CNPSR1KDM4EHTR1AHTR2A | |
| Oxitriptan SCHEMBL43242 | 0.87 | NPSR1 (1.00) | HTR2CNPSR1KDM4EHTR1AHTR2A |
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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2983473-A2 | PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF | ALS Mountain Llc (US) | 2016-02-17 | — | — | EP | claimed |
| US-20140350064-A1 | PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF | ALS MOUNTAIN LLC | 2014-11-27 | — | — | US | claimed |
| WO-2014144130-A2 | PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF | ALS MOUNTAIN LLC (US) | 2014-09-18 | — | — | WO | claimed |
| US-20120183600-A1 | NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS | CHEN CHIEN-HUNG (US) | 2012-07-19 | — | — | US | claimed |
| EP-1789052-A4 | COMPOSITION AND METHOD FOR INDUCING OR RESTORING LOCOMOTOR FUNCTIONS IN AN ANIMAL | UNIV LAVAL (CA) | 2008-05-21 | — | — | EP | claimed |
| US-20080096847-A1 | Composition And Method For Inducing Or Restoring Locomotor Functions In An Animal | UNIVERSITE LAVAL | 2008-04-24 | — | — | US | claimed |
| EP-1789052-A1 | COMPOSITION AND METHOD FOR INDUCING OR RESTORING LOCOMOTOR FUNCTIONS IN AN ANIMAL | Université Laval (CA) | 2007-05-30 | — | — | EP | claimed |
| WO-2006026850-A1 | COMPOSITION AND METHOD FOR INDUCING OR RESTORING LOCOMOTOR FUNCTIONS IN AN ANIMAL | UNIVERSITE LAVAL (CA) | 2006-03-16 | — | — | WO | claimed |
| US-20030187055-A1 | Synergistic pharmaceutical combinations for treating obesity | BANK OF AMERICA, N.A., AS AGENT | 2003-10-02 | — | — | US | claimed |
| US-20030162725-A1 | Synergistic pharmaceutical combinations for treating obesity with EGCG | BANK OF AMERICA, N.A., AS AGENT | 2003-08-28 | — | — | US | claimed |
| US-6579899-B1 | Precursor or prodrug of serotonin, tryptophan or 5-hydroxytryptophan | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2003-06-17 | — | — | US | claimed |
| WO-2002038141-A9 | COMPOSITIONS AND METHODS FOR TREATMENT OF MILD COGNITIVE IMPAIRMENT | MASSACHUSETTS INST TECHNOLOGY (US) | 2003-02-13 | — | — | WO | claimed |
| US-20020173549-A1 | Compositions and methods for treatment of mild cognitive impairment | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2002-11-21 | — | — | US | claimed |
| EP-1253915-A1 | METHOD FOR TREATING STRESS WITH A PRECURSOR OF SEROTONIN | Massachusetts Institute of Technology (US) | 2002-11-06 | — | — | EP | claimed |
| WO-2002038141-A2 | COMPOSITIONS AND METHODS FOR TREATMENT OF MILD COGNITIVE IMPAIRMENT | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2002-05-16 | — | — | WO | claimed |
| WO-2001054681-A2 | COMPOSITION FOR TREATMENT OF STRESS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2001-08-02 | — | — | WO | claimed |
| US-9315483-B2 | Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof | CONCERT PHARMACEUTICALS, INC. (US) | 2016-04-19 | — | — | US | disclosed |
| EP-2983473-A2 | PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF | ALS Mountain Llc (US) | 2016-02-17 | — | — | EP | disclosed |
| WO-2001067890-A2 | COMPOSITION AND METHOD TO TREAT WEIGHT GAIN AND OBESITY ATTRIBUTABLE TO PSYCHOTROPIC DRUGS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2001-09-20 | — | — | WO | disclosed |
| WO-2001054681-A2 | COMPOSITION FOR TREATMENT OF STRESS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2001-08-02 | — | — | WO | disclosed |