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 | |
|---|---|---|---|---|
| ▸ | SYK known ✓ | P43405 | 5/20 | 0.56 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.48 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.47 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | MAOA | P21397 | 2/20 | 0.55 |
| ▸ | MAOB | P27338 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | APAF1 | O14727 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3571325 | 0.98 | PARP10 (0.64) | PARP10SMN1; SMN2KDM4EALDH1A1SYK | |
| SCHEMBL30361386 | 0.98 | PARP10 (0.64) | PARP10SMN1; SMN2KDM4EALDH1A1SYK | |
| Hydrochloric Acid SCHEMBL6754354 | 0.96 | PARP10 (0.62) | PARP10SMN1; SMN2KDM4EALDH1A1SYK | |
| Hydrochloric Acid SCHEMBL124667 | 0.96 | PARP10 (0.62) | PARP10SMN1; SMN2KDM4EALDH1A1SYK | |
| Hydrochloric Acid SCHEMBL3141247 | 0.86 | MAOA (0.54) | PARP10SMN1; SMN2KDM4EALDH1A1SYK | |
| SCHEMBL8877675 | 0.83 | SYK (0.58) | PARP10SMN1; SMN2KDM4EALDH1A1SYK | |
| SCHEMBL13248546 | 0.83 | PARP10 (0.49) | PARP10SMN1; SMN2KDM4EALDH1A1SYK | |
| SCHEMBL6445371 | 0.83 | KCNH2 (0.67) | PARP10SMN1; SMN2KDM4EALDH1A1SYK | |
| SCHEMBL22874534 | 0.81 | PARP10 (0.66) | PARP10SMN1; SMN2KDM4EALDH1A1SYK | |
| SCHEMBL23291160 | 0.81 | HRH1 (0.58) | PARP10SMN1; SMN2KDM4EALDH1A1SYK |
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-5157039-A | Lipoxygenase inhibitors | LEO PHARMACEUTICAL PRODUCTS LTD. (DK) | 1992-10-20 | — | — | US | disclosed |
| US-5109009-A | QUINOLINE AND PYRIDINE COMPOUNDS AND INHIBITION OF 5-LIPOXYGENASES THEREWITH | LEO PHARMACEUTICAL PRODUCTS LTD. (DK) | 1992-04-28 | — | — | US | disclosed |
| US-4826987-A | Pyridyl and quinoline derivatives | LEO PHARMACEUTICAL PRODUCTS LTD. (DK) | 1989-05-02 | — | — | US | disclosed |