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 | |
|---|---|---|---|---|
| ▸ | FDPS known ✓ | P14324 | 1/20 | 0.47 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.41 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.36 |
| ▸ | GRIK1 known ✓ | P39086 | 1/20 | 0.36 |
| ▸ | GRIK2 known ✓ | Q13002 | 1/20 | 0.36 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11483106 | 0.98 | FDPS (0.48) | FDPSDNM1OPRM1CA2SPHK1 | |
| SCHEMBL2861868 | 0.98 | FDPS (0.48) | FDPSDNM1OPRM1CA2SPHK1 | |
| SCHEMBL29107057 | 0.98 | FDPS (0.48) | FDPSDNM1OPRM1CA2SPHK1 | |
| SCHEMBL9051998 | 0.95 | FDPS (0.45) | FDPSDNM1OPRM1CA2SPHK1 | |
| SCHEMBL13058111 | 0.95 | FDPS (0.45) | FDPSDNM1OPRM1CA2SPHK1 | |
| SCHEMBL6351247 | 0.95 | FDPS (0.45) | FDPSDNM1OPRM1CA2SPHK1 | |
| SCHEMBL9635328 | 0.95 | FDPS (0.45) | FDPSDNM1OPRM1CA2SPHK1 | |
| SCHEMBL16109187 | 0.95 | FDPS (0.45) | FDPSDNM1OPRM1CA2SPHK1 | |
| SCHEMBL16908418 | 0.95 | FDPS (0.45) | FDPSDNM1OPRM1CA2SPHK1 | |
| Bromide SCHEMBL2348951 | 0.93 | FDPS (0.44) | FDPSDNM1OPRM1CA2SPHK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0667366-B1 | Process for the production of aromatic polycarbonate | TEIJIN LTD (JP) | 2002-06-26 | — | — | EP | disclosed |
| US-5516878-A | CATALYTIC ESTER INTERCHANGE USING AN ALKALI METAL SALT OF AN ATE-COMPLEX OF A METAL SELECTED FROM SILICON, GERMANIUM, TIN, OR LEAD | TEIJIN LIMITED (JP) | 1996-05-14 | — | — | US | disclosed |
| EP-0667366-A2 | Process for the production of aromatic polycarbonate | TEIJIN LIMITED (JP) | 1995-08-16 | — | — | EP | disclosed |