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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDB1 known ✓ | Q16531 | 1/20 | 0.44 |
| ▸ | CRBN known ✓ | Q96SW2 | 1/20 | 0.44 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 2/20 | 0.37 |
| ▸ | PSEN1 | P49768 | 7/20 | 0.47 |
| ▸ | PSEN2 | P49810 | 7/20 | 0.47 |
| ▸ | APH1B | Q8WW43 | 7/20 | 0.47 |
| ▸ | NCSTN | Q92542 | 7/20 | 0.47 |
| ▸ | APH1A | Q96BI3 | 7/20 | 0.47 |
| ▸ | PSENEN | Q9NZ42 | 7/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5170679 | 0.98 | PSEN1 (0.49) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| Ether SCHEMBL5166791 | 0.87 | PSEN1 (0.45) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL10280608 | 0.76 | PSEN1 (0.54) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL10435329 | 0.74 | DDB1 (0.44) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL7639944 | 0.73 | MAOB (0.44) | DDB1CRBNMAOBHSD11B1ALDH1A1 | |
| SCHEMBL29013938 | 0.71 | DDB1 (0.52) | DDB1CRBNMAOBHSD11B1ALDH1A1 | |
| SCHEMBL6403374 | 0.70 | PSEN1 (0.41) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL6399488 | 0.70 | PSEN1 (0.41) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL6403368 | 0.70 | PSEN1 (0.41) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL27657157 | 0.70 | DDB1 (0.55) | DDB1CRBNMAOBHSD11B1ALDH1A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1103255-B1 | METHOD OF REARING AND FEEDS | TAKARA BIO INC (JP) | 2007-05-02 | — | — | EP | disclosed |
| EP-1000923-B1 | CYCLOPENTENONE DERIVATIVES | TAKARA BIO INC (JP) | 2003-12-03 | — | — | EP | disclosed |
| US-6552001-B1 | Method breeding and feeds | TAKARA SHUZO CO., LTD. (JP) | 2003-04-22 | — | — | US | disclosed |
| EP-1106624-B1 | 5-MEMBERED RING COMPOUNDS | TAKARA BIO INC (JP) | 2003-04-09 | — | — | EP | disclosed |
| US-6380262-B1 | HAVING CARCINOSTATIC ACTIVITY WHICH IS USEFUL IN A FIELD OF MEDICINE | TAKARA SHUZO CO., LTD. (JP) | 2002-04-30 | — | — | US | disclosed |
| EP-1170007-A1 | REMEDIES | Takara Shuzo Co, Ltd. (JP) | 2002-01-09 | — | — | EP | disclosed |
| EP-1106624-A1 | 5-MEMBERED RING COMPOUNDS | Takara Shuzo Co, Ltd. (JP) | 2001-06-13 | — | — | EP | disclosed |
| EP-1103255-A1 | METHOD OF REARING AND FEEDS | Takara Shuzo Co, Ltd. (JP) | 2001-05-30 | — | — | EP | disclosed |
| US-6111145-A | MONO- OR DIETHER OF 4,5-DIHYDROXY-2-CYCLOPENTEN-1-ONE OF GIVEN FORMULA, SUCH AS 4,5-DI-TERTBUTYLCYCLOPENTENONE ETHER; MADE BY REACTING THE ABOVE MENTIONED DIOL WITH ALCOHOL(S); ANTICANCER AGENT | TAKARA SHUZO COMPANY (JP) | 2000-08-29 | — | — | US | disclosed |
| EP-1000923-A1 | CYCLOPENTENONE DERIVATIVES | Takara Shuzo Co, Ltd. (JP) | 2000-05-17 | — | — | EP | disclosed |