Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Riboflavin 5'-Phosphate. 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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.98 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.98 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.98 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.98 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.98 |
| ▸ | MEN1 known ✓ | O00255 | 7/20 | 0.72 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.54 |
| ▸ | GRIA1 known ✓ | P42261 | 1/20 | 0.33 |
| ▸ | GRIA2 known ✓ | P42262 | 1/20 | 0.33 |
| ▸ | GRIA3 known ✓ | P42263 | 1/20 | 0.33 |
| ▸ | GRIA4 known ✓ | P48058 | 1/20 | 0.33 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.33 |
| ▸ | FDPS known ✓ | P14324 | 1/20 | 0.31 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.98 |
| ▸ | TST | Q16762 | 2/20 | 0.85 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.85 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.85 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.72 |
| ▸ | USP2 | O75604 | 4/20 | 0.72 |
| ▸ | HTT | P42858 | 4/20 | 0.72 |
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 | |
|---|---|---|---|---|
| Riboflavin 5'-Phosphate SCHEMBL297863 | 0.99 | ESR1 (1.00) | ESR1NR3C1ADRB2HTR2CADRA1A | |
| Riboflavin 5'-Phosphate SCHEMBL190079 | 0.99 | ESR1 (1.00) | ESR1NR3C1ADRB2HTR2CADRA1A | |
| Riboflavin 5'-Phosphate SCHEMBL1532396 | 0.99 | ESR1 (1.00) | ESR1NR3C1ADRB2HTR2CADRA1A | |
| Riboflavin 5'-Phosphate SCHEMBL41133 | 0.99 | ESR1 (1.00) | ESR1NR3C1ADRB2HTR2CADRA1A | |
| Riboflavin 5'-Phosphate SCHEMBL29592831 | 0.95 | ESR1 (0.93) | ESR1NR3C1ADRB2HTR2CADRA1A | |
| SCHEMBL14571231 | 0.93 | ESR1 (0.89) | ESR1NR3C1ADRB2HTR2CADRA1A | |
| SCHEMBL11995383 | 0.93 | ESR1 (0.88) | ESR1NR3C1ADRB2HTR2CADRA1A | |
| SCHEMBL19864293 | 0.93 | ESR1 (0.88) | ESR1NR3C1ADRB2HTR2CADRA1A | |
| Riboflavin 5'-Phosphate SCHEMBL21899339 | 0.92 | TST (1.00) | ESR1NR3C1ADRB2HTR2CADRA1A | |
| Riboflavin 5'-Phosphate SCHEMBL29839430 | 0.92 | TST (1.00) | ESR1NR3C1ADRB2HTR2CADRA1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1084126-B1 | NOVEL VINCA-ALKALOID DERIVATIVES AND PREPARATION METHOD | ROOWIN S A (FR) | 2004-11-17 | — | — | EP | disclosed |
| US-6365735-B1 | ALKALOIDS FORMED BY REDUCTION OR CYANATION | ROOWIN S.A. (FR) | 2002-04-02 | — | — | US | disclosed |
| EP-1084126-A1 | NOVEL VINCA-ALKALOID DERIVATIVES AND PREPARATION METHOD | Roowin, S.A. (FR) | 2001-03-21 | — | — | EP | disclosed |
| WO-1999062912-A1 | NOVEL VINCA-ALKALOID DERIVATIVES AND PREPARATION METHOD | ROOWIN S.A. (FR) | 1999-12-09 | — | — | WO | disclosed |