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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.56 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.56 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.56 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.56 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.42 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 known ✓ | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 known ✓ | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 known ✓ | Q9UQL6 | 1/20 | 0.42 |
| ▸ | PAOX | Q6QHF9 | 6/20 | 0.95 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL12658620 | 0.97 | PAOX (1.00) | PAOXLMNAALDH1A1THRBKMT2A | |
| SCHEMBL3318566 | 0.97 | PAOX (1.00) | PAOXLMNAALDH1A1THRBKMT2A | |
| SCHEMBL18533504 | 0.97 | PAOX (1.00) | PAOXLMNAALDH1A1THRBKMT2A | |
| SCHEMBL13082344 | 0.97 | PAOX (1.00) | PAOXLMNAALDH1A1THRBKMT2A | |
| SCHEMBL9623780 | 0.97 | PAOX (1.00) | PAOXLMNAALDH1A1THRBKMT2A | |
| SCHEMBL23872982 | 0.97 | PAOX (1.00) | PAOXLMNAALDH1A1THRBKMT2A | |
| SCHEMBL18726287 | 0.97 | PAOX (1.00) | PAOXLMNAALDH1A1THRBKMT2A | |
| SCHEMBL806164 | 0.97 | — | — | |
| SCHEMBL16297742 | 0.97 | PAOX (1.00) | PAOXLMNAALDH1A1THRBKMT2A | |
| SCHEMBL6420548 | 0.97 | PAOX (1.00) | PAOXLMNAALDH1A1THRBKMT2A |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE39836-E1 | Macrolide antinfective agents | KOSAN BIOSCIENCES, INC. (US) | 2007-09-11 | — | — | US | disclosed |
| US-RE39591-E1 | 6-O-substituted ketolides having antibacterial activity | ABBOTT LABORATORIES (US) | 2007-04-24 | — | — | US | disclosed |
| EP-1171446-B1 | MACROLIDE ANTIINFECTIVE AGENTS | KOSAN BIOSCIENCES INC (US) | 2006-09-20 | — | — | EP | disclosed |
| EP-1291351-B1 | 6-0 substituted ketolides having antibacterial activity | ABBOTT LAB (US) | 2005-07-13 | — | — | EP | disclosed |
| EP-1291353-B1 | 6-O-substituted ketolides having antibacterial activity | ABBOTT LAB (US) | 2005-06-01 | — | — | EP | disclosed |
| EP-0929563-B1 | 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY | ABBOTT LAB (US) | 2005-06-01 | — | — | EP | disclosed |
| EP-1291352-B1 | 6-O-substituted ketolides having antibacterial activity | ABBOTT LAB (US) | 2005-05-25 | — | — | EP | disclosed |
| EP-1291350-B1 | 6-0 substituted ketolides having antibacterial activity | ABBOTT LAB (US) | 2005-05-25 | — | — | EP | disclosed |
| EP-1025114-B1 | 3'-N-MODIFIED 6-O-SUBSTITUTED ERYTHROMYCIN KETOLIDE DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY | ABBOTT LAB (US) | 2004-02-25 | — | — | EP | disclosed |
| US-6593302-B2 | Antibiotics | KOSAN BIOSCIENCES, INC. | 2003-07-15 | — | — | US | disclosed |
| US-6147197-A | INCREASED ACID STABILITY AND ENHANCED ACTIVITY TOWARD GRAM NEGATIVE BACTERIA AND MACROLIDE RESISTANT GRAM POSITIVE BACTERIA | ABBVIE INC. | 2000-11-14 | — | — | US | disclosed |
| WO-2000063224-A2 | MACROLIDE ANTIINFECTIVE AGENTS | KOSAN BIOSCIENCES, INC. (US) | 2000-10-26 | — | — | WO | disclosed |
| EP-1025114-A1 | 3'-N-MODIFIED 6-O-SUBSTITUTED ERYTHROMYCIN KETOLIDE DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY | Abbott Laboratories (US) | 2000-08-09 | — | — | EP | disclosed |
| US-6075133-A | INCREASED ACID STABILITY AND ENHANCED BACTERICIDAL ACTIVITY | ABBOTT LABORATORIES (US) | 2000-06-13 | — | — | US | disclosed |
| US-6034069-A | 3-'N-modified 6-O-substituted erythromycin ketolide derivatives having antibacterial activity | ABBOTT LABORATORIES (US) | 2000-03-07 | — | — | US | disclosed |
| US-6028181-A | 6-0-Substituted antibacterial erythromycin ketolides and methods of making | ABBOTT LABORATORIES (US) | 2000-02-22 | — | — | US | disclosed |
| EP-0929563-A1 | 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY | Abbott Laboratories (US) | 1999-07-21 | — | — | EP | disclosed |
| WO-1999016779-A1 | 3'-N-MODIFIED 6-O-SUBSTITUTED ERYTHROMYCIN KETOLIDE DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY | ABBOTT LABORATORIES (US) | 1999-04-08 | — | — | WO | disclosed |
| US-5866549-A | MACROLIDE ANTIBIOTICS | ABBOTT LABORATORIES (US) | 1999-02-02 | — | — | US | disclosed |
| WO-1998009978-A1 | 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY | ABBOTT LABORATORIES (US) | 1998-03-12 | — | — | WO | disclosed |