Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Thiophene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| Thiophene SCHEMBL1222753 | 0.95 | — | — | |
| Thiophene SCHEMBL3800049 | 0.95 | — | — | |
| Thiophene SCHEMBL4349054 | 0.95 | — | — | |
| Thiophene SCHEMBL27990041 | 0.95 | — | — | |
| Thiophene SCHEMBL15534104 | 0.90 | — | — | |
| Thiophene SCHEMBL28773847 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL28746197 | 0.90 | TP53 (0.30) | — | |
| Thiophene SCHEMBL4337734 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL753095 | 0.90 | TP53 (0.30) | — | |
| Thiophene SCHEMBL29228162 | 0.90 | — | — |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7067681-B2 | Methods of preparing substituted tetracyclines with transition metal-based chemistries | TRUSTEES OF TUFTS COLLEGE (US) | 2006-06-27 | — | — | US | claimed |
| US-20040033996-A1 | Methods of preparing substituted tetracyclines with transition metal-based chemistries | PARATEK PHARMACEUTICALS, INC. | 2004-02-19 | — | — | US | claimed |
| US-20130029943-A1 | Methods of Preparing Substituted Tetracyclines with Transition Metal-Based Chemistries | TRUSTEES OF TUFTS COLLEGE (US) | 2013-01-31 | — | — | US | disclosed |
| US-8106225-B2 | Catalytically reacting a 7(9)- arene tetracycline diazonium salt or an iodotetracycline and a reactive substituent precursor, e.g., (substituted) alkenes, vinyl monomers, aromatics, carbon monoxide; carboxylation, esterification, amidation carbonylation, cyanation; anhydriding; imidation; bactericides | TRUSTEES OF TUFTS COLLEGE (US) | 2012-01-31 | — | — | US | disclosed |
| EP-2204361-B1 | 13-substituted methacycline compounds | TUFTS COLLEGE (US) | 2011-09-28 | — | — | EP | disclosed |
| EP-1666454-B1 | Methods of preparing substituted tetracyclines with transition metal-based chemistries | TUFTS COLLEGE (US) | 2011-09-07 | — | — | EP | disclosed |
| EP-2327686-A2 | Methods of preparing substituted tetracyclines with transition metal-based chemistries | TRUSTEES OF TUFTS COLLEGE (US) | 2011-06-01 | — | — | EP | disclosed |
| EP-2327687-A2 | Methods of preparing substituted tetracyclines with transition metal-based chemistries | TRUSTEES OF TUFTS COLLEGE (US) | 2011-06-01 | — | — | EP | disclosed |
| EP-2204361-A1 | 13-substituted methacycline compounds | TRUSTEES OF TUFTS COLLEGE (US) | 2010-07-07 | — | — | EP | disclosed |
| EP-1661883-B1 | 13-substituted methacycline compounds | TUFTS COLLEGE (US) | 2010-04-28 | — | — | EP | disclosed |
| US-7696187-B2 | Methods of preparing substituted tetracyclines with transition metal-based chemistries | TRUSTEES OF TUFTS COLLEGE (US) | 2010-04-13 | — | — | US | disclosed |
| WO-2003079983-A2 | METHODS OF PREPARING SUBSTITUTED TETRACYCLINES WITH TRANSITION METAL-BASED CHEMISTRIES | TRUSTEES OF TUFTS COLLEGE (US) | 2003-10-02 | — | — | WO | disclosed |
| US-6617318-B1 | 7-substitted tetracyclines are effective against tetracycline-resistant E. coli, S. aureus and E. faecalis strains | TRUSTEES OF TUFTS COLLEGE | 2003-09-09 | — | — | US | disclosed |
| US-20030166952-A1 | 13-substituted methacycline compounds | PARATEK PHARMACEUTICALS, INC. | 2003-09-04 | — | — | US | disclosed |
| EP-1301465-A2 | 13-SUBSTITUTED METHACYCLINE COMPOUNDS | TRUSTEES OF TUFTS COLLEGE (US) | 2003-04-16 | — | — | EP | disclosed |
| US-6500812-B2 | GASTROINTESTINAL DISORDERS; ANTIINFLAMMATORY AGENTS | PARATEK PHARMACEUTICALS, INC. | 2002-12-31 | — | — | US | disclosed |
| US-20020147182-A1 | 13-substituted methacycline compounds | PARATEK PHARMACEUTICALS, INC. | 2002-10-10 | — | — | US | disclosed |
| EP-1240133-A1 | METHODS OF PREPARING SUBSTITUTED TETRACYCLINES WITH TRANSITION METAL-BASED CHEMISTRIES | TRUSTEES OF TUFTS COLLEGE (US) | 2002-09-18 | — | — | EP | disclosed |
| WO-2002004405-A2 | 13-SUBSTITUTED METHACYCLINE COMPOUNDS | TRUSTEES OF TUFTS COLLEGE (US) | 2002-01-17 | — | — | WO | disclosed |
| WO-2001019784-A1 | METHODS OF PREPARING SUBSTITUTED TETRACYCLINES WITH TRANSITION METAL-BASED CHEMISTRIES | TRUSTEES OF TUFTS COLLEGE (US) | 2001-03-22 | — | — | WO | disclosed |