Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Niacin. 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 | |
|---|---|---|---|---|
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.55 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.55 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.50 |
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.49 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | GAA | P10253 | 2/20 | 0.61 |
| ▸ | APP | P05067 | 1/20 | 0.61 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.61 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.61 |
| ▸ | F7 | P08709 | 1/20 | 0.59 |
| ▸ | F3 | P13726 | 1/20 | 0.59 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.59 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.59 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.59 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.59 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.59 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.59 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.59 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Niacin SCHEMBL679599 | 0.98 | ALDH1A1 (0.63) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL28413971 | 0.96 | ALDH1A1 (0.61) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL29017596 | 0.96 | ALDH1A1 (0.61) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL29167281 | 0.96 | ALDH1A1 (0.61) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL18304342 | 0.96 | ALDH1A1 (0.61) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL23780930 | 0.94 | ALDH1A1 (0.63) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL10357700 | 0.94 | ALDH1A1 (0.63) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL308681 | 0.94 | ALDH1A1 (0.63) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL1943861 | 0.94 | ALDH1A1 (0.63) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL987479 | 0.94 | ALDH1A1 (0.63) | ALDH1A1GAAAPPHCAR3HCAR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110274773-A1 | Copper(I) Chloride Complex Of Nicotinic Acid And Pharmaceutical Compositions Containing The Same | HUSSEIN ALY IBRAHEIM SALAH FATHIY | 2011-11-10 | — | — | US | disclosed |