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 | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 7/20 | 0.39 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.36 |
| ▸ | CACNA1F known ✓ | O60840 | 1/20 | 0.36 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.36 |
| ▸ | ERBB2 known ✓ | P04626 | 1/20 | 0.36 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.36 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.36 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.36 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.36 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.36 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.36 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.36 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.36 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.36 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.36 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9879885 | 0.83 | NOS2 (0.51) | MEN1LMNAMAPTHTTHTR3A | |
| SCHEMBL9876975 | 0.81 | NR4A2 (0.44) | KCNH2LMNATP53CYP1A2CYP3A4 | |
| SCHEMBL27321364 | 0.80 | NOS2 (0.38) | LMNATP53CYP1A2GAAMAPT | |
| Oxalic Acid SCHEMBL9539822 | 0.80 | HRH1 (0.47) | SLC6A9HRH1KCNH2TP53MAPT | |
| Oxalic Acid SCHEMBL9539814 | 0.80 | HRH1 (0.47) | SLC6A9HRH1KCNH2TP53MAPT | |
| SCHEMBL9536097 | 0.80 | SLC6A9 (0.45) | SLC6A9HRH1SSTR5KCNH2MEN1 | |
| SCHEMBL9535360 | 0.80 | HRH1 (0.54) | SLC6A9HRH1SSTR5KCNH2MEN1 | |
| SCHEMBL9535868 | 0.78 | SLC6A9 (0.44) | SLC6A9HRH1KCNH2MAPTCHRM1 | |
| SCHEMBL9537031 | 0.78 | SLC6A9 (0.42) | SLC6A9HRH1SSTR5KCNH2MAPT | |
| SCHEMBL10382570 | 0.78 | SLC6A9 (0.44) | SLC6A9HRH1SSTR5KCNH2MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0295742-B1 | NOVEL N-(4-PIPERIDINYL) BICYCLIC CONDENSED 2-IMIDAZOLAMINE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-08-26 | — | — | EP | disclosed |
| US-5006527-A | Antihistamines, antiallergens | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-04-09 | — | — | US | disclosed |
| US-4897401-A | N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives useful in treating allergic diseases | JANSSEN PHARMACEUTICAL N.V. (BE) | 1990-01-30 | — | — | US | disclosed |
| EP-0295742-A1 | Novel N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1988-12-21 | — | — | EP | disclosed |