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.
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 | |
|---|---|---|---|---|
| SCHEMBL5228 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL579414 | 0.89 | — | — | |
| Water SCHEMBL11269516 | 0.81 | TSHR (0.40) | — | |
| Ether SCHEMBL3101010 | 0.81 | — | — | |
| SCHEMBL11474826 | 0.81 | — | — | |
| Formic Acid SCHEMBL29800601 | 0.78 | — | — | |
| SCHEMBL5340 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL27686328 | 0.74 | — | — | |
| SCHEMBL28002022 | 0.74 | — | — | |
| Bromide SCHEMBL9165450 | 0.74 | — | — |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2172197-A1 | Octanoic acid derivative to treat fibromyalgia and other pains | Warner-Lambert Company LLC (US) | 2010-04-07 | — | — | EP | disclosed |
| EP-1192125-B9 | MONO-SUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS | WARNER LAMBERT CO (US) | 2009-09-16 | — | — | EP | disclosed |
| US-20090203782-A1 | Alpha 2 Delta Ligands for Fibromyalgia and Other Disorders | PFIZER INC. | 2009-08-13 | — | — | US | disclosed |
| EP-1192125-B1 | MONO-SUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS | WARNER LAMBERT CO (US) | 2008-12-31 | — | — | EP | disclosed |
| US-20080207755-A1 | Alpha 2 Delta Ligands For Fibromyalgia and Other Disorders | PFIZER INC | 2008-08-28 | — | — | US | disclosed |
| US-7381747-B2 | Alpha 2 delta ligands for post-traumatic stress disorder | WARNER-LAMBERT COMPANY LLC (US) | 2008-06-03 | — | — | US | disclosed |
| EP-1840117-A1 | Mono- and disubstituted 3-propyl gamma-aminobutyric acids | Warner-Lambert Company LLC (US) | 2007-10-03 | — | — | EP | disclosed |
| US-7189747-B2 | Method of treating noninflammatory cartilage damage | WARNER-LAMBERT COMPANY (US) | 2007-03-13 | — | — | US | disclosed |
| US-20070027212-A1 | ALPHA 2 DELTA LIGANDS FOR FIBROMYALGIA AND OTHER DISORDERS | PFIZER INC | 2007-02-01 | — | — | US | disclosed |
| US-7164034-B2 | Alpha2delta ligands for fibromyalgia and other disorders | PFIZER INC. (US) | 2007-01-16 | — | — | US | disclosed |
| US-6642398-B2 | Improving drug qualities such as bioavailability and stability | WARNER-LAMBERT COMPANY | 2003-11-04 | — | — | US | disclosed |
| US-20030181523-A1 | Mono-and disubstituted 3-propyl gamma-aminobutyric acids | BELLIOTTI THOMAS RICHARD (US) | 2003-09-25 | — | — | US | disclosed |
| US-20030176504-A1 | Method of treating tinnitus | DOOLEY DAVID JAMES (US) | 2003-09-18 | — | — | US | disclosed |
| US-6620829-B2 | Administering a therapeutically effective amount of a GABA analog having characteristic of being an inhibitor of cartilage damage, or a pharmaceutically acceptable salt | WARNER-LAMBERT COMPANY | 2003-09-16 | — | — | US | disclosed |
| WO-2003063845-A1 | ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS | WARNER-LAMBERT COMPANY LLC (US) | 2003-08-07 | — | — | WO | disclosed |
| US-20030144313-A1 | Non-steroidal, tetracylic compounds for estrogen-related treatments | N.V. ORGANON (NL) | 2003-07-31 | — | — | US | disclosed |
| US-20020072533-A1 | Method of treating cartilage damage | SCHRIER DENIS (US) | 2002-06-13 | — | — | US | disclosed |
| EP-1199072-A2 | Method of treating cartilage damage | WARNER-LAMBERT COMPANY (US) | 2002-04-24 | — | — | EP | disclosed |
| EP-1192125-A2 | MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS | WARNER-LAMBERT COMPANY (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000076958-A2 | MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS | WARNER-LAMBERT COMPANY (US) | 2000-12-21 | — | — | WO | disclosed |