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 | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.38 |
| ▸ | PDE4B known ✓ | Q07343 | 1/20 | 0.38 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.38 |
| ▸ | MMP13 known ✓ | P45452 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | GPR3 | P46089 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PRKCI | P41743 | 1/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2406867 | 0.98 | KDM4E (0.54) | KDM4EGPR3LMNACYP3A4ALDH1A1 | |
| SCHEMBL30598019 | 0.98 | KDM4E (0.54) | KDM4EGPR3LMNACYP3A4ALDH1A1 | |
| SCHEMBL31318624 | 0.96 | KDM4E (0.52) | KDM4EGPR3LMNACYP3A4ALDH1A1 | |
| SCHEMBL28661854 | 0.96 | KDM4E (0.52) | KDM4EGPR3LMNACYP3A4ALDH1A1 | |
| SCHEMBL29077538 | 0.96 | KDM4E (0.52) | KDM4EGPR3LMNACYP3A4ALDH1A1 | |
| SCHEMBL13629310 | 0.82 | ALDH1A1 (0.43) | KDM4EGPR3LMNACYP3A4ALDH1A1 | |
| SCHEMBL25666731 | 0.80 | LMNA (0.47) | KDM4EGPR3LMNACYP3A4MAPT | |
| SCHEMBL13192813 | 0.79 | LMNA (0.52) | KDM4ELMNACYP3A4ALDH1A1MAPT | |
| SCHEMBL25666732 | 0.78 | LMNA (0.49) | KDM4EGPR3LMNACYP3A4ALDH1A1 | |
| SCHEMBL18099793 | 0.76 | KDM4E (0.53) | KDM4EGPR3LMNACYP3A4ALDH1A1 |
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-0892865-A1 | METHOD FOR BLEACHING OF LIGNOCELLULOSIC FIBERS | Jaschinski, Thomas (DE) | 1999-01-27 | — | — | EP | claimed |
| WO-1997039179-A1 | METHOD FOR BLEACHING OF LIGNOCELLULOSIC FIBERS | JASCHINSKI THOMAS (DE) | 1997-10-23 | — | — | WO | claimed |
| EP-0892865-A1 | METHOD FOR BLEACHING OF LIGNOCELLULOSIC FIBERS | Jaschinski, Thomas (DE) | 1999-01-27 | — | — | EP | disclosed |
| WO-1997039179-A1 | METHOD FOR BLEACHING OF LIGNOCELLULOSIC FIBERS | JASCHINSKI THOMAS (DE) | 1997-10-23 | — | — | WO | disclosed |