Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Phenol. 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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CA4 | P22748 | 4/20 | 0.36 |
| ▸ | CA2 | P00918 | 4/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 5/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | ORAI1 | Q96D31 | 2/20 | 0.35 |
| ▸ | ORAI2 | Q96SN7 | 2/20 | 0.35 |
| ▸ | ORAI3 | Q9BRQ5 | 2/20 | 0.35 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL5575718 | 1.00 | — | — | |
| Phenol SCHEMBL27533571 | 1.00 | TDP1 (0.39) | TDP1CYP3A4ALDH1A1CA4CA2 | |
| Phenol SCHEMBL2076600 | 1.00 | TDP1 (0.39) | TDP1CYP3A4ALDH1A1CA4CA2 | |
| Phenol SCHEMBL6902664 | 0.96 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1CA4CA2 | |
| Phenol SCHEMBL27899405 | 0.96 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1CA4CA2 | |
| Phenol SCHEMBL22191 | 0.96 | — | — | |
| Phenol SCHEMBL29843261 | 0.96 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1CA4CA2 | |
| Phenol SCHEMBL29636940 | 0.92 | TDP1 (0.39) | TDP1CYP3A4ALDH1A1CA4CA2 | |
| Phenol SCHEMBL28584059 | 0.92 | TDP1 (0.39) | TDP1CYP3A4ALDH1A1CA4CA2 | |
| Phenol SCHEMBL6366351 | 0.92 | TDP1 (0.39) | TDP1CYP3A4ALDH1A1CA4CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20070129535-A1 | Linear polyphosphonates and methods of making | TRITON SYSTEMS, INC. (US) | 2007-06-07 | — | — | US | claimed |
| WO-2004076537-A1 | LINEAR POLYPHOSPHONATES AND METHODS OF MAKING | TRITON SYSTEMS, INC. (US) | 2004-09-10 | — | — | WO | claimed |
| US-20040167283-A1 | Linear polyphosphonates that exhibit an advantageous combination of properties, and methods related thereto | TRITON SYSTEM, INC. | 2004-08-26 | — | — | US | claimed |
| US-20070129535-A1 | Linear polyphosphonates and methods of making | TRITON SYSTEMS, INC. (US) | 2007-06-07 | — | — | US | disclosed |
| WO-2004076537-A1 | LINEAR POLYPHOSPHONATES AND METHODS OF MAKING | TRITON SYSTEMS, INC. (US) | 2004-09-10 | — | — | WO | disclosed |