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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.45 |
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.45 |
| ▸ | ABCC9 known ✓ | O60706 | 1/20 | 0.41 |
| ▸ | KCNJ11 known ✓ | Q14654 | 1/20 | 0.41 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.41 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | ALPL | P05186 | 1/20 | 0.48 |
| ▸ | ALPI | P09923 | 1/20 | 0.48 |
| ▸ | ALPG | P10696 | 1/20 | 0.48 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CA4 | P22748 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA5A | P35218 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29381412 | 0.97 | TDP1 (0.50) | TDP1L3MBTL1ALPLALPIALPG | |
| SCHEMBL18837 | 0.97 | TDP1 (0.50) | TDP1L3MBTL1ALPLALPIALPG | |
| SCHEMBL190005 | 0.97 | TDP1 (0.50) | TDP1L3MBTL1ALPLALPIALPG | |
| Fluoride SCHEMBL28328013 | 0.95 | TDP1 (0.48) | TDP1L3MBTL1ALPLALPIALPG | |
| SCHEMBL8652280 | 0.95 | GAA (0.50) | TDP1L3MBTL1ALPLALPIALPG | |
| SCHEMBL8652278 | 0.95 | TDP1 (0.48) | TDP1L3MBTL1ALPLALPIALPG | |
| Formaldehyde SCHEMBL7206155 | 0.92 | TDP1 (0.47) | TDP1L3MBTL1ALPLALPIALPG | |
| Benzene SCHEMBL28329054 | 0.92 | GAA (0.48) | TDP1L3MBTL1ALPLALPIALPG | |
| Phenol SCHEMBL27474455 | 0.88 | CA12 (0.50) | TDP1L3MBTL1ALPLALPIALPG | |
| SCHEMBL6241059 | 0.86 | TDP1 (0.43) | TDP1L3MBTL1ALPLALPIALPG |
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-0882149-A1 | CARBOXYLIC ACID-CONTAINING POLYMER/RESOLE RESIN STAIN-RESISTS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1998-12-09 | — | — | EP | claimed |
| US-5708087-A | Carboxylic acid-containing polymer/resole stain-resists | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1998-01-13 | — | — | US | claimed |
| WO-1997031149-A1 | CARBOXYLIC ACID-CONTAINING POLYMER/RESOLE RESIN STAIN-RESISTS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-08-28 | — | — | WO | claimed |