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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.94 |
| ▸ | PLAU | P00749 | 2/20 | 0.59 |
| ▸ | MASP2 | O00187 | 1/20 | 0.59 |
| ▸ | THPO | P40225 | 1/20 | 0.59 |
| ▸ | F12 | P00748 | 2/20 | 0.58 |
| ▸ | PRSS1 | P07477 | 6/20 | 0.56 |
| ▸ | PRSS3 | P35030 | 6/20 | 0.56 |
| ▸ | F2 | P00734 | 5/20 | 0.56 |
| ▸ | PRSS2 | P07478 | 5/20 | 0.56 |
| ▸ | C1S | P09871 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | APEX1 | P27695 | 1/20 | 0.56 |
| ▸ | F10 | P00742 | 2/20 | 0.55 |
| ▸ | F7 | P08709 | 1/20 | 0.55 |
| ▸ | F3 | P13726 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | ST14 | Q9Y5Y6 | 4/20 | 0.54 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.54 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL563315 | 0.97 | LMNA (1.00) | LMNAPLAUMASP2THPOF12 | |
| Hydrochloric Acid SCHEMBL4279969 | 0.94 | LMNA (0.94) | LMNAPLAUMASP2THPOF12 | |
| SCHEMBL537030 | 0.85 | LMNA (0.77) | LMNAPLAUMASP2THPOF12 | |
| SCHEMBL19286912 | 0.84 | ST14 (0.83) | LMNAPLAUF12PRSS1PRSS3 | |
| Hydrochloric Acid SCHEMBL30999366 | 0.82 | PRSS1 (0.78) | LMNAPLAUMASP2THPOF12 | |
| Hydrochloric Acid SCHEMBL392375 | 0.82 | PRSS1 (0.78) | LMNAPLAUMASP2THPOF12 | |
| SCHEMBL8973288 | 0.77 | WDR5 (0.80) | LMNAPLAUMASP2THPOF12 | |
| SCHEMBL394218 | 0.77 | WDR5 (0.80) | LMNAPLAUMASP2THPOF12 | |
| SCHEMBL6588885 | 0.74 | LMNA (0.62) | LMNAPLAUMASP2THPOF12 | |
| Hydrochloric Acid SCHEMBL29182280 | 0.74 | PRSS1 (0.67) | LMNAPLAUMASP2THPOF12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0039892-B1 | SUBSTITUTED PHENYL ETHERS | CIBA-GEIGY AG (CH) | 1986-12-30 | — | — | EP | disclosed |
| US-4559354-A | ADRENERGIC BLOCKING AGENTS AND STIMULANTS; CARDIOTONIC, ANTIARRHYTHMIA AND INOTROPIC AGENTS | CIBA-GEIGY CORPORATION (US) | 1985-12-17 | — | — | US | disclosed |
| EP-0039892-A1 | Substituted phenyl ethers | CIBA-GEIGY AG (CH) | 1981-11-18 | — | — | EP | disclosed |