Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Pyrogallol. 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 | 2/20 | 0.92 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.92 |
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.53 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.46 |
| ▸ | CACNA1B known ✓ | Q00975 | 1/20 | 0.46 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.92 |
| ▸ | HPGD | P15428 | 4/20 | 0.92 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.92 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.92 |
| ▸ | LMNA | P02545 | 3/20 | 0.92 |
| ▸ | CA2 | P00918 | 3/20 | 0.92 |
| ▸ | RECQL | P46063 | 3/20 | 0.92 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.92 |
| ▸ | FYN | P06241 | 2/20 | 0.92 |
| ▸ | MMP9 | P14780 | 2/20 | 0.92 |
| ▸ | CA1 | P00915 | 2/20 | 0.92 |
| ▸ | CDK2 | P24941 | 2/20 | 0.92 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.92 |
| ▸ | MMP2 | P08253 | 1/20 | 0.92 |
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 | |
|---|---|---|---|---|
| Pyrogallol SCHEMBL29032838 | 1.00 | ALDH1A1 (0.92) | ALDH1A1HPGDALOX15HSD17B10LMNA | |
| Pyrogallol SCHEMBL6270291 | 1.00 | ALDH1A1 (0.92) | ALDH1A1HPGDALOX15HSD17B10LMNA | |
| Pyrogallol SCHEMBL28541163 | 0.96 | ALDH1A1 (0.86) | ALDH1A1HPGDALOX15HSD17B10LMNA | |
| Pyrogallol SCHEMBL170157 | 0.96 | ALDH1A1 (1.00) | ALDH1A1HPGDALOX15HSD17B10LMNA | |
| Pyrogallol SCHEMBL3532 | 0.96 | — | — | |
| Pyrogallol SCHEMBL11661058 | 0.92 | ALDH1A1 (0.92) | ALDH1A1HPGDALOX15HSD17B10LMNA | |
| Pyrogallol SCHEMBL10986410 | 0.92 | ALDH1A1 (0.92) | ALDH1A1HPGDALOX15HSD17B10LMNA | |
| Pyrogallol SCHEMBL1042997 | 0.92 | ALDH1A1 (0.92) | ALDH1A1HPGDALOX15HSD17B10LMNA | |
| Pyrogallol SCHEMBL11324823 | 0.92 | ALDH1A1 (0.92) | ALDH1A1HPGDALOX15HSD17B10LMNA | |
| Pyrogallol SCHEMBL6254002 | 0.92 | ALDH1A1 (0.92) | ALDH1A1HPGDALOX15HSD17B10LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-111419809-A | Sublingual tablet pharmaceutical composition for acute spastic pain and preparation method thereof | 药源生物科技（启东）有限公司 | 2020-07-17 | — | — | CN | disclosed |
| CN-101443321-A | Substituted chromanol derivatives and uses thereof | BAYER HEALTHCARE AG (DE) | 2009-05-27 | — | — | CN | disclosed |
| US-20080054520-A1 | gear which hardly peels off on a joined boundary face even where a polyamide resin-molded gear core is joined to a polyamide resin-molded gear tooth, and is excellent in dimensional accuracy. Forming a dispersion for coating the gear. | KOJI TOMODA (JP) | 2008-03-06 | — | — | US | disclosed |
| WO-2006110961-A2 | NOVEL CORROSION INHIBITING MATERIALS | A J SCIENTIFIC PTY LTD (AU) | 2006-10-26 | — | — | WO | disclosed |