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 | |
|---|---|---|---|---|
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B known ✓ | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C known ✓ | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.43 |
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.43 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.43 |
| ▸ | ADORA2A known ✓ | P29274 | 2/20 | 0.38 |
| ▸ | ADORA1 known ✓ | P30542 | 2/20 | 0.38 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.38 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.37 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.35 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | SMARCA2 | P51531 | 2/20 | 0.41 |
| ▸ | SMARCA4 | P51532 | 2/20 | 0.41 |
| ▸ | PBRM1 | Q86U86 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL560129 | 0.98 | ALDH1A1 (0.52) | HSD17B10ALDH1A1PDE4APDE4BPDE4C | |
| SCHEMBL29367789 | 0.98 | ALDH1A1 (0.52) | HSD17B10ALDH1A1PDE4APDE4BPDE4C | |
| Hydrochloric Acid SCHEMBL4521255 | 0.95 | HSD17B10 (0.50) | HSD17B10ALDH1A1PDE4APDE4BPDE4C | |
| Hydrogen Sulfide SCHEMBL6229946 | 0.95 | ALDH1A1 (0.50) | HSD17B10ALDH1A1PDE4APDE4BPDE4C | |
| Methane SCHEMBL22720569 | 0.95 | ALDH1A1 (0.50) | HSD17B10ALDH1A1PDE4APDE4BPDE4C | |
| SCHEMBL26698709 | 0.86 | MEN1 (0.52) | HSD17B10ALDH1A1PDE4APDE4BPDE4C | |
| SCHEMBL24254917 | 0.85 | ALDH1A1 (0.52) | HSD17B10ALDH1A1BACE1SMARCA2SMARCA4 | |
| SCHEMBL30697354 | 0.80 | HSD17B10 (0.48) | HSD17B10ALDH1A1PDE4APDE4BPDE4C | |
| SCHEMBL29115742 | 0.80 | HSD17B10 (0.48) | HSD17B10ALDH1A1PDE4APDE4BPDE4C | |
| SCHEMBL4294691 | 0.79 | TDP1 (0.46) | HSD17B10ALDH1A1MAPTKDM4EHPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109251316-B | Synthetic preparation method of polybenzimidazole resin | 江苏常源新材料科技有限公司 | 2021-06-01 | — | — | CN | disclosed |
| US-20050229324-A1 | Process and auxiliaries for the treatment of organically tanned leather | TFL LEDERTECHNIK GMBH (DE) | 2005-10-20 | — | — | US | disclosed |
| EP-1517999-A1 | PROCESS AND AUXILIARIES FOR THE TREATMENT OF ORGANICALLY TANNED LEATHER | TFL Ledertechnik GmbH (DE) | 2005-03-30 | — | — | EP | disclosed |
| WO-2004003238-A1 | PROCESS AND AUXILIARIES FOR THE TREATMENT OF ORGANICALLY TANNED LEATHER | TFL LEDERTECHNIK GMBH (DE) | 2004-01-08 | — | — | WO | disclosed |
| US-3956238-A | Polyetherquinoxalines | GENERAL ELECTRIC COMPANY (US) | 1976-05-11 | — | — | US | disclosed |