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 | |
|---|---|---|---|---|
| ▸ | CRBN known ✓ | Q96SW2 | 2/20 | 0.35 |
| ▸ | ITGB3 known ✓ | P05106 | 1/20 | 0.33 |
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.31 |
| ▸ | TDP2 | O95551 | 13/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | CASP9 | P55211 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.39 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.33 |
| ▸ | ITGAV | P06756 | 1/20 | 0.33 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL41851 | 0.97 | — | — | |
| Acetic Acid SCHEMBL16099585 | 0.82 | ITGB3 (0.41) | TDP2CASP3CASP7CASP9CASP6 | |
| Methacrylic Acid SCHEMBL5431596 | 0.75 | ITGB3 (0.36) | TDP2ITGB3ITGB1ITGAVITGA4 | |
| SCHEMBL407972 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL10924919 | 0.68 | — | — | |
| Barbituric Acid SCHEMBL28943815 | 0.67 | ALDH1A1 (0.52) | TDP2CASP3CASP7CASP9CASP6 | |
| SCHEMBL5779557 | 0.67 | — | — | |
| SCHEMBL251099 | 0.67 | — | — | |
| SCHEMBL7704755 | 0.67 | — | — | |
| SCHEMBL7657946 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6642201-B1 | Administering pharmaceutical preparation containing effective quantity of L-lysyl-L-glutamic acid dipeptide or its salts at least once daily during period necessary for stimulation of tissue regeneration during wound healing process | Obschestvo S Ogranichennoi Otvetstven Nostiji “Klinika Instituta Bioregulyatsii Gerontologii” (RU) | 2003-11-04 | — | — | US | disclosed |
| EP-1089753-A2 | USE OF A DIPEPTIDE FOR STIMULATING REPAIR PROCESSES | Obschestvo s Ogranichennoi Otvetstvennostiju "Klinika Instituta Bioregulyatsii i Gerontologii" (RU) | 2001-04-11 | — | — | EP | disclosed |
| WO-1999066948-A2 | USE OF A DIPEPTIDE FOR STIMULATING REPAIR PROCESSES | OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIJU ''KLINIKA INSTITUTA BIOREGULYATSII I GERONTOLOGII'' (RU) | 1999-12-29 | — | — | WO | disclosed |