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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.35 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.34 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.33 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.32 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.32 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.32 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.32 |
| ▸ | IDH1 known ✓ | O75874 | 1/20 | 0.32 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.31 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.31 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL23093430 | 1.00 | — | — | |
| SCHEMBL45372 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1222010 | 0.94 | — | — | |
| Ethane SCHEMBL28177867 | 0.94 | — | — | |
| SCHEMBL27916921 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL9798493 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL29051978 | 0.91 | — | — | |
| Iodide SCHEMBL29051970 | 0.91 | — | — | |
| Bromide SCHEMBL29051996 | 0.91 | — | — | |
| SCHEMBL910781 | 0.86 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111747996-B | Preparation method of oxalyl coenzyme A | 浙江大学 | 2021-11-12 | — | — | CN | claimed |
| CN-111747996-A | Preparation method of oxalyl coenzyme A | 浙江大学 | 2020-10-09 | — | — | CN | claimed |
| CN-111690029-A | Preparation method of oxalyl coenzyme A | 浙江大学 | 2020-09-22 | — | — | CN | claimed |
| CN-111747996-B | Preparation method of oxalyl coenzyme A | 浙江大学 | 2021-11-12 | — | — | CN | disclosed |
| CN-111690029-B | Preparation method of oxalyl coenzyme A | 浙江大学 | 2021-11-12 | — | — | CN | disclosed |
| CN-111747996-A | Preparation method of oxalyl coenzyme A | 浙江大学 | 2020-10-09 | — | — | CN | disclosed |
| CN-111690029-A | Preparation method of oxalyl coenzyme A | 浙江大学 | 2020-09-22 | — | — | CN | disclosed |