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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.53 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.50 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.48 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.48 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.48 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.48 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.48 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.48 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.46 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.46 |
| ▸ | ERBB2 known ✓ | P04626 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29511793 | 0.97 | HTT (0.59) | HTTMAPTTDP1MEN1MAPK1 | |
| SCHEMBL183017 | 0.97 | HTT (0.59) | HTTMAPTTDP1MEN1MAPK1 | |
| Hydrochloric Acid SCHEMBL3212348 | 0.94 | HTT (0.56) | HTTMAPTTDP1MEN1MAPK1 | |
| SCHEMBL1713041 | 0.94 | HTT (0.56) | HTTMAPTTDP1MEN1MAPK1 | |
| SCHEMBL30020305 | 0.87 | TDP1 (0.53) | HTTMAPTTDP1MEN1MAPK1 | |
| SCHEMBL11403543 | 0.85 | KMT2A (0.61) | HTTMAPTTDP1MEN1MAPK1 | |
| SCHEMBL12320094 | 0.85 | MAPT (0.48) | HTTMAPTTDP1MEN1MAPK1 | |
| Bicarbonate SCHEMBL31082205 | 0.85 | RAB9A (0.61) | TDP1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL29653984 | 0.83 | MAPT (0.54) | HTTMAPTTDP1MEN1MAPK1 | |
| SCHEMBL108882 | 0.83 | MAPT (0.54) | HTTMAPTTDP1MEN1MAPK1 |
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-0494535-B1 | Process for producing epsilon-caprolactam and activating solid catalysts therefor | SUMITOMO CHEMICAL CO (JP) | 1998-02-18 | — | — | EP | disclosed |
| US-5403801-A | Contacting zeolite with either aqueous solution of ammonium salts and base, or ammonia water | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1995-04-04 | — | — | US | disclosed |
| US-5212302-A | Catalytic reaction of cyclohexanone oxime | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 1993-05-18 | — | — | US | disclosed |
| EP-0494535-A1 | Process for producing epsilon-caprolactam and activating solid catalysts therefor | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1992-07-15 | — | — | EP | disclosed |