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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2551922 | 0.98 | ALDH1A1 (0.57) | ALDH1A1KDM4ERECQLKEAP1FFAR1 | |
| SCHEMBL2551920 | 0.98 | ALDH1A1 (0.57) | ALDH1A1KDM4ERECQLKEAP1FFAR1 | |
| SCHEMBL5593707 | 0.98 | ALDH1A1 (0.57) | ALDH1A1KDM4ERECQLKEAP1FFAR1 | |
| SCHEMBL11479198 | 0.86 | FFAR1 (0.56) | ALDH1A1KDM4ERECQLFFAR1LMNA | |
| SCHEMBL28410645 | 0.86 | HDAC1 (0.53) | ALDH1A1KDM4ERECQLTDP1HDAC2 | |
| SCHEMBL30543587 | 0.82 | MAPT (0.56) | ALDH1A1HDAC2HDAC8HDAC6 | |
| SCHEMBL3961254 | 0.82 | MAPT (0.56) | ALDH1A1HDAC2HDAC8HDAC6 | |
| SCHEMBL9862263 | 0.82 | MAPT (0.56) | ALDH1A1HDAC2HDAC8HDAC6 | |
| SCHEMBL10665281 | 0.82 | FFAR1 (0.60) | KDM4ERECQLFFAR1 | |
| SCHEMBL10877101 | 0.82 | FFAR1 (0.60) | KDM4ERECQLFFAR1 |
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-102452998-B | N-formyl hydroxylamine compound and its preparation method and use | TIANJIN INST PHARM RESEARCH | 2014-12-10 | — | — | CN | disclosed |
| CN-102452986-B | N-formyl hydroxylamine compounds, preparation method thereof, and purposes thereof | TIANJIN INST PHARM RESEARCH | 2014-07-02 | — | — | CN | disclosed |
| CN-102452998-A | N-formyl hydroxylamine compound and preparation method and application thereof | TIANJIN INST PHARM RESEARCH | 2012-05-16 | — | — | CN | disclosed |
| CN-102452986-A | N-formyl hydroxylamine compound and preparation method and application thereof | TIANJIN INST PHARM RESEARCH | 2012-05-16 | — | — | CN | disclosed |
| CN-102452958-A | N-formyl hydroxylamine compound and preparation method and application thereof | TIANJIN INST PHARM RESEARCH | 2012-05-16 | — | — | CN | disclosed |