Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Butane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL28273202 | 0.88 | TSHR (0.48) | TSHRALDH1A1FAAH | |
| Hydrochloric Acid SCHEMBL7717763 | 0.87 | TSHR (0.36) | TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL220991 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL1232708 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL11366591 | 0.86 | TSHR (0.35) | TSHRALDH1A1FAAH | |
| Diethylamine SCHEMBL27831215 | 0.85 | TP53 (0.47) | TSHRFAAH | |
| Diethylamine SCHEMBL27831214 | 0.85 | TP53 (0.47) | TSHRFAAH | |
| Ethylamine SCHEMBL5269402 | 0.85 | ALDH1A1 (0.37) | TSHRALDH1A1FAAH | |
| Alcohol SCHEMBL10511294 | 0.85 | TSHR (0.37) | TSHRALDH1A1FAAH | |
| Dimethylamine SCHEMBL4963851 | 0.84 | ALDH1A1 (0.32) | TSHRALDH1A1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0603078-B1 | Conditioning compositions for keratinous material based on alkylpolyglycosides and their use for washing and conditioning hair | OREAL (FR) | 1997-07-30 | — | — | EP | claimed |
| US-5449475-A | Compositions for conditioning keratinous substances based on alkyl polyglycosides and their use for the washing and conditioning of hair | L'OREAL (FR) | 1995-09-12 | — | — | US | claimed |
| US-9535324-B2 | Heat-sensitive recording medium, and coating liquid for forming heat-sensitive color-developing layer | THE NIPPON SYNTHETIC CHEMICAL INDUSTRY CO., LTD. (JP) | 2017-01-03 | — | — | US | disclosed |
| EP-2921313-A1 | HEAT-SENSITIVE RECORDING MEDIUM AND COATING LIQUID FOR FORMING HEAT-SENSITIVE COLOR DEVELOPING LAYER | The Nippon Synthetic Chemical Industry Co., Ltd. (JP) | 2015-09-23 | — | — | EP | disclosed |
| US-20150212409-A1 | HEAT-SENSITIVE RECORDING MEDIUM, AND COATING LIQUID FOR FORMING HEAT-SENSITIVE COLOR-DEVELOPING LAYER | THE NIPPON SYNTHETIC CHEMICAL INDUSTRY CO., LTD. (JP) | 2015-07-30 | — | — | US | disclosed |
| US-20080274070-A1 | Method for permanently reshaping keratin fibers comprising applying a poorly concentrated reducing compositions followed by drying | L'OREAL S.A. (FR) | 2008-11-06 | — | — | US | disclosed |
| EP-0743562-B1 | Transfer paper for color electrophotography | CANON KK (JP) | 2001-10-04 | — | — | EP | disclosed |
| US-6150289-A | REACTING CALCINED KAOLIN CLAY WITH CATIONIC POLYMER; CHARGING | IMERYS PIGMENTS, INC. (US) | 2000-11-21 | — | — | US | disclosed |
| EP-1040169-A1 | COATING COMPOSITION FOR INK JET PAPER AND A PRODUCT THEREOF | ECC INTERNATIONAL INC. (US) | 2000-10-04 | — | — | EP | disclosed |
| WO-1998036029-A1 | COATING COMPOSITION FOR INK JET PAPER AND A PRODUCT THEREOF | ECC INTERNATIONAL INC. (US) | 1998-08-20 | — | — | WO | disclosed |
| US-5733642-A | Transfer paper for color electrophotography | CANON KABUSHIKI KAISHA (JP) | 1998-03-31 | — | — | US | disclosed |
| EP-0743562-A2 | Transfer paper for color electrophotography | CANON KABUSHIKI KAISHA (JP) | 1996-11-20 | — | — | EP | disclosed |