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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 4/20 | 0.33 |
| ▸ | ESR2 known ✓ | Q92731 | 4/20 | 0.33 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.31 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.31 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.31 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.31 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.31 |
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | BAX | Q07812 | 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 | |
|---|---|---|---|---|
| Phenol SCHEMBL28185266 | 0.98 | CA12 (0.44) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL1398374 | 0.98 | CA12 (0.48) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL14151692 | 0.98 | CA12 (0.48) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL27729822 | 0.96 | CA12 (0.46) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL27804564 | 0.96 | CA12 (0.46) | CA12CA1CA2GLACA3 | |
| Naphthalene SCHEMBL28178058 | 0.92 | CA12 (0.42) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL29273161 | 0.90 | CA12 (0.41) | CA12CA1CA2GLACA3 | |
| Resorcinol SCHEMBL4240076 | 0.83 | CA12 (0.50) | CA12CA1CA2CA9TDP1 | |
| Biphenyl SCHEMBL1551538 | 0.80 | NOTUM (0.44) | CYP1A2NPC1RPS6KA3 | |
| SCHEMBL27970673 | 0.79 | KMT2A (0.33) | ESR1ESR2LMNACYP1A2CYP2C19 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-206553405-U | A kind of sound insulation half mirror | 北京弘森创新真空镀膜技术有限公司 | 2017-10-13 | — | — | CN | claimed |
| CN-206657813-U | A kind of novel photovoltaic module | 新余学院 | 2017-11-21 | — | — | CN | disclosed |
| CN-104781261-A | Macrocyclic inhibitors of flaviviridae viruses | GILEAD SCIENCES INC | 2015-07-15 | — | — | CN | disclosed |
| CN-100475791-C | Method for preparing 6-hydroxyl-3-cyanogen pyridine | SHANDONG INST LIGHT INDUSTRY (CN) | 2009-04-08 | — | — | CN | disclosed |
| CN-101270082-A | Method for preparing 6-hydroxyl-3-cyanogen pyridine | SHANDONG INST LIGHT INDUSTRY (CN) | 2008-09-24 | — | — | CN | disclosed |
| US-5290799-A | 7-oxabicycloheptyl substituted heterocyclic thioamide prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease | E. R. SQUIBB & SONS, INC. (US) | 1994-03-01 | — | — | US | disclosed |
| CN-1074438-A | Antithrombotic agent | LILLY CO ELI (US) | 1993-07-21 | — | — | CN | disclosed |
| US-5153327-A | 7-Oxabicycloheptyl substituted heterocyclic amide or ester prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease | E. R. SQUIBB & SONS, INC. (US) | 1992-10-06 | — | — | US | disclosed |
| US-5100889-A | Thromboxane A2 receptor antagonists, thromboxane synthetase inhibitor | E. R. SQUIBB & SONS, INC. (US) | 1992-03-31 | — | — | US | disclosed |
| EP-0476994-A1 | 7-Oxabicycloheptyl substituted heterocyclic thioamide prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease | E.R. SQUIBB & SONS, INC. (US) | 1992-03-25 | — | — | EP | disclosed |
| EP-0413839-A1 | GHRH analogs | The Administrators of The Tulane Educational Fund (US) | 1991-02-27 | — | — | EP | disclosed |
| US-4914189-A | STIMULATES RELEASE OF GROWTH HORMONE | THE ADMINSTRATORS OF THE TULANE EDUCATIONAL FUND (US) | 1990-04-03 | — | — | US | disclosed |
| US-4800191-A | LUTEINIZING HORMONE RELEASING HORMONE, PEPTIDES | ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND, THE | 1989-01-24 | — | — | US | disclosed |
| EP-0277626-A2 | Synthetic GHRH analogs | The Administrators of The Tulane Educational Fund (US) | 1988-08-10 | — | — | EP | disclosed |