Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Barbital. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.42 |
| ▸ | OPRD1 known ✓ | P41143 | 1/20 | 0.42 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.42 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.42 |
| ▸ | MMP8 known ✓ | P22894 | 4/20 | 0.38 |
| ▸ | MMP13 known ✓ | P45452 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.90 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 5/20 | 0.38 |
| ▸ | MMP9 | P14780 | 5/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 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 | |
|---|---|---|---|---|
| Barbital SCHEMBL7592317 | 0.97 | LMNA (0.94) | LMNAALDH1A1TP53KDM4ECYP3A4 | |
| Barbital SCHEMBL236590 | 0.97 | LMNA (0.94) | LMNAALDH1A1TP53KDM4ECYP3A4 | |
| Barbital SCHEMBL11212132 | 0.97 | LMNA (0.94) | LMNAALDH1A1TP53KDM4ECYP3A4 | |
| Barbital SCHEMBL27891432 | 0.95 | LMNA (0.90) | LMNAALDH1A1TP53KDM4ECYP3A4 | |
| Barbital SCHEMBL3859278 | 0.95 | LMNA (1.00) | LMNAALDH1A1TP53KDM4ECYP3A4 | |
| Barbital SCHEMBL43818 | 0.95 | LMNA (1.00) | LMNAALDH1A1TP53KDM4ECYP3A4 | |
| Barbital SCHEMBL8746543 | 0.92 | LMNA (0.85) | LMNAALDH1A1TP53KDM4ECYP3A4 | |
| Barbital SCHEMBL23533431 | 0.92 | LMNA (0.94) | LMNAALDH1A1TP53KDM4ECYP3A4 | |
| Barbital SCHEMBL2128102 | 0.92 | LMNA (0.94) | LMNAALDH1A1TP53KDM4ECYP3A4 | |
| Barbital SCHEMBL21084955 | 0.92 | LMNA (0.94) | LMNAALDH1A1TP53KDM4ECYP3A4 |
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 1020 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110499651-A | The processing method of worm's ovum shell in a kind of fleece fabrics | JIANGSU SUNSHINE CO LTD | 2019-11-26 | — | — | CN | claimed |
| CN-110308145-A | A kind of chlamydia trachomatis glycogen detection reagent, chlamydia trachomatis glycogen test strip and preparation method thereof | 迪瑞医疗科技股份有限公司 | 2019-10-08 | — | — | CN | claimed |
| CN-110257351-A | Ketoreductase mutant and the method for producing chiral alcohol | 凯莱英医药集团（天津）股份有限公司 | 2019-09-20 | — | — | CN | claimed |
| CN-105440583-B | A kind of Dopaminergics are compound-modified or nanometer particle-modified polymer composites of package and preparation method thereof | 武汉理工大学 | 2019-05-24 | — | — | CN | claimed |
| CN-109652220-A | A kind of Urine Analyzer cleaning solution and preparation method thereof | 桂林优利特医疗电子有限公司 | 2019-04-19 | — | — | CN | claimed |
| CN-105950606-B | A kind of carrier immobilized enzyme of temperature control type phase-change material micro-capsule and preparation method thereof | 北京化工大学 | 2019-03-01 | — | — | CN | claimed |
| CN-106927441-B | A kind of controllable hollow hydroxyapatite micro-sphere in aperture, preparation method and applications | 乔威 | 2019-02-22 | — | — | CN | claimed |
| CN-109374698-A | A method of based on the 2.5D electrochemistry fingerprint identification fleece-flower root or RADIX POLYGONI MULTIFLORI PREPARATA | 杭州电子科技大学 | 2019-02-22 | — | — | CN | claimed |
| CN-105985942-B | Lysyl endopeptidase freeze-drying and storage protective agent | 上海多米瑞生物技术有限公司 | 2019-02-12 | — | — | CN | claimed |
| CN-105734114-B | A kind of catechol O-methyltransferase enzyme activity detection kit | 北京中科唯新生物医学研究所有限公司 | 2019-01-25 | — | — | CN | claimed |
| CN-1779464-A | Determination of inorganic phosphorus and its diagnostic kit | AIJIE BIOLOGY SCIENCE AND TECH (CN) | 2006-05-31 | — | — | CN | claimed |
| CN-1778956-A | Determination of magnesium ion content from enzyme method and magnesium ion diagnostic reagent kit | AIJIE BIOLOG SCIENCE AND TECHN (CN) | 2006-05-31 | — | — | CN | claimed |
| CN-1778941-A | Determination of inorganic phosphorus and its diagnostic reagent kit | AIJIE BIOLOG SCIENCE AND TECHN (CN) | 2006-05-31 | — | — | CN | claimed |
| CN-1778957-A | Determination of magnesium ion content from enzyme method and magnesium ion diagnostic reagent kit | AIJIE BIOLOG SCIENCE AND TECHN (CN) | 2006-05-31 | — | — | CN | claimed |
| CN-1778942-A | Determination of inorganic phosphorus and its diagnostic reagent kit | AIJIE BIOLOG SCIENCE AND TECHN (CN) | 2006-05-31 | — | — | CN | claimed |
| CN-1778961-A | Determination of magnesium ion content from enzyme method and magnesium ion diagnostic reagent kit | AIJIE BIOLOG SCIENCE AND TECHN (CN) | 2006-05-31 | — | — | CN | claimed |
| CN-1778962-A | Determination of magnesium ion content from enzyme method and magnesium ion diagnostic reagent kit | AIJIE BIOLOG SCIENCE AND TECHN (CN) | 2006-05-31 | — | — | CN | claimed |
| CN-1778955-A | Determination of inorganic phosphorus and its diagnostic reagent kit | AIJIE BIOLOG SCIENCE AND TECHN (CN) | 2006-05-31 | — | — | CN | claimed |
| CN-1778958-A | Determination of magnesium ion content from enzyme method and magnesium ion diagnostic reagent kit | AIJIE BIOLOG SCIENCE AND TECHN (CN) | 2006-05-31 | — | — | CN | claimed |
| CN-1778943-A | Determination of inorganic phosphorus and its diagnostic reagent kit | AIJIE BIOLOG SCIENCE AND TECHN (CN) | 2006-05-31 | — | — | CN | claimed |