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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1G known ✓ | O43497 | 2/20 | 0.61 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.59 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.81 |
| ▸ | POLB | P06746 | 2/20 | 0.81 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.76 |
| ▸ | LMNA | P02545 | 2/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.59 |
| ▸ | BCHE | P06276 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL8227510 | 0.98 | ALDH1A1 (0.83) | ALDH1A1POLBKMT2ALMNAKDM4E | |
| SCHEMBL3012622 | 0.89 | ALDH1A1 (1.00) | ALDH1A1POLBKMT2ALMNAKDM4E | |
| SCHEMBL7510477 | 0.84 | LMNA (0.61) | ALDH1A1POLBKMT2ALMNAKDM4E | |
| SCHEMBL14041580 | 0.83 | POLB (0.63) | ALDH1A1POLBKMT2ALMNANPC1 | |
| SCHEMBL14041590 | 0.82 | KMT2A (0.79) | ALDH1A1POLBKMT2ALMNACACNA1G | |
| SCHEMBL4749143 | 0.82 | ALDH1A1 (0.58) | ALDH1A1POLBKMT2ALMNACACNA1G | |
| SCHEMBL14041496 | 0.81 | KMT2A (0.60) | ALDH1A1POLBKMT2ALMNAMEN1 | |
| SCHEMBL4748608 | 0.81 | LMNA (0.60) | ALDH1A1POLBKMT2ALMNACACNA1G | |
| SCHEMBL4749305 | 0.81 | TERT (0.63) | ALDH1A1POLBKMT2ALMNA | |
| SCHEMBL7391417 | 0.80 | LMNA (0.56) | ALDH1A1POLBKMT2ALMNAKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0309043-B1 | Novel substituted N-(1-alkyl-3-hydroxy-4-piperidinyl)benzamides | JANSSEN PHARMACEUTICA NV (BE) | 1994-11-09 | — | — | EP | disclosed |
| EP-0309043-A2 | Novel substituted N-(1-alkyl-3-hydroxy-4-piperidinyl)benzamides | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-03-29 | — | — | EP | disclosed |