Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Butanedione. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LSS | P48449 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL1077081 | 0.87 | ALDH1A1 (0.39) | ALDH1A1TSHRSMN1; SMN2LSSLMNA | |
| Acetamide SCHEMBL18319481 | 0.85 | LMNA (0.40) | ALDH1A1TSHRLMNAMEN1KMT2A | |
| Bicarbonate SCHEMBL28060029 | 0.84 | ALDH1A1 (0.41) | ALDH1A1TSHRSMN1; SMN2LSSLMNA | |
| Bicarbonate SCHEMBL28060031 | 0.84 | ALDH1A1 (0.41) | ALDH1A1TSHRSMN1; SMN2LSSLMNA | |
| Alcohol SCHEMBL28141458 | 0.84 | TSHR (0.35) | ALDH1A1TSHR | |
| Methyl Alcohol SCHEMBL27760189 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL30425 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL2427941 | 0.84 | PYCR1 (0.33) | ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL27945568 | 0.84 | — | — | |
| Alcohol SCHEMBL3256403 | 0.81 | — | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102159593-B | Cationic polymers and fixative applications therefor | LUBRIZOL ADVANCED MAT INC | 2014-07-09 | — | — | CN | disclosed |
| CN-102159593-A | Cationic polymers and fixative applications therefor | LUBRIZOL ADVANCED MAT INC | 2011-08-17 | — | — | CN | disclosed |
| CN-101084862-B | Compositions containing a hydroxylated diphenylmethane compound | OREAL | 2011-04-27 | — | — | CN | disclosed |
| CN-101084862-A | Compositions containing a hydroxylated diphenylmethane compound | OREAL (FR) | 2007-12-12 | — | — | CN | disclosed |
| CN-1320876-C | Hair cleaning composition | KAO CORP (JP) | 2007-06-13 | — | — | CN | disclosed |
| CN-1279889-C | Combined stable cationic and anionic surfactant compositions | RHODIA (US) | 2006-10-18 | — | — | CN | disclosed |
| CN-1248676-C | Hair clearing composition | KAO CORP (JP) | 2006-04-05 | — | — | CN | disclosed |
| CN-1245950-C | Anhydrous cosmetic compositions | PROCTER & GAMBLE (US) | 2006-03-22 | — | — | CN | disclosed |
| CN-1219504-C | Anhydrous self-heating cosmetic compositions, especially anhydrous hair conditioning compositions | PROCTER & GAMBLE (US) | 2005-09-21 | — | — | CN | disclosed |
| CN-1198574-C | Novel couplers for oxidative hair dyeing | P & G CLAIROL INC (US) | 2005-04-27 | — | — | CN | disclosed |
| CN-1487823-A | Anhydrous cosmetic compositions | — | 2004-04-07 | — | — | CN | disclosed |
| CN-1474681-A | Novel couplers for oxidative hair dyeing | P&G克莱罗尔公司 | 2004-02-11 | — | — | CN | disclosed |
| CN-1474679-A | Novel couplers for oxidative hair dyeing | P&G | 2004-02-11 | — | — | CN | disclosed |
| CN-1454075-A | Hair care kits and heating devices for warming hair care compositions | PROCTER & GAMBLE (US) | 2003-11-05 | — | — | CN | disclosed |
| CN-1454074-A | Hair conditioning compositions comprising particles | PROCTER & GAMBLE (US) | 2003-11-05 | — | — | CN | disclosed |
| CN-1442128-A | Hair clearing composition | KAO CORP (JP) | 2003-09-17 | — | — | CN | disclosed |
| CN-1442129-A | Hair cleaning composition | KAO CORP (JP) | 2003-09-17 | — | — | CN | disclosed |
| CN-1377250-A | Compositions for care of hair | PROCTER & GAMBLE (US) | 2002-10-30 | — | — | CN | disclosed |
| CN-1218390-A | Personal care compositions containing hydrophobic graft copolymer and hydrophobic volatile solvent | PROCTER & GAMBLE (US) | 1999-06-02 | — | — | CN | disclosed |
| CN-1131014-A | Water-in-oil-in-water compositions | CURTIS HELENE IND INC (US) | 1996-09-18 | — | — | CN | disclosed |