Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Nitroethane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.85 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | HBB | P68871 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| Nitroethane SCHEMBL35035 | 0.92 | — | — | |
| Nitroethane SCHEMBL1332217 | 0.92 | — | — | |
| Nitroethane SCHEMBL27939198 | 0.88 | — | — | |
| Nitroethane SCHEMBL7774447 | 0.88 | — | — | |
| Nitroethane SCHEMBL27781345 | 0.88 | — | — | |
| Nitroethane SCHEMBL29866506 | 0.88 | — | — | |
| Nitroethane SCHEMBL27435792 | 0.85 | — | — | |
| Nitroethane SCHEMBL1011599 | 0.85 | — | — | |
| Nitroethane SCHEMBL11203492 | 0.85 | — | — | |
| Nitroethane SCHEMBL9602682 | 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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11576894-B2 | Combination therapy for the treatment of diabetes | JANSSEN PHARMACEUTICA NV (BE) | 2023-02-14 | — | — | US | disclosed |
| US-10617668-B2 | Pharmaceutical formulations | JANSSEN PHARMACEUTICA NV (BE) | 2020-04-14 | — | — | US | disclosed |
| EP-2451482-B1 | COMBINATION THERAPY FOR THE TREATMENT OF DIABETES | JANSSEN PHARMACEUTICA NV (BE) | 2019-05-01 | — | — | EP | disclosed |
| US-20170128414-A1 | COMBINATION THERAPY FOR THE TREATMENT OF DIABETES | JANSSEN PHARMACEUTICA NV (BE) | 2017-05-11 | — | — | US | disclosed |
| US-20170112806-A1 | PHARMACEUTICAL FORMULATIONS | JANSSEN PHARMACEUTICA NV (BE) | 2017-04-27 | — | — | US | disclosed |
| EP-2590631-B1 | FORMULATION FOR CO-THERAPY TREATMENT OF DIABETES | JANSSEN PHARMACEUTICA NV (BE) | 2016-10-26 | — | — | EP | disclosed |
| EP-2568988-B1 | PHARMACEUTICAL FORMULATIONS COMPRISING 1-(BETA-D-GLUCOPYRANOSYL)-2-THIENYLMETHYLBENZENE DERIVATIVES AS INHIBITORS OF SGLT | JANSSEN PHARMACEUTICA NV (BE) | 2016-07-13 | — | — | EP | disclosed |
| US-20160089360-A1 | COMBINATION THERAPY FOR THE TREATMENT OF DIABETES | JANSSEN PHARMACEUTICA NV (BE) | 2016-03-31 | — | — | US | disclosed |
| US-20150342926-A1 | FORMULATION FOR CO-THERAPY TREATMENT OF DIABETES | JANSSEN PHARMACEUTICA NV (BE) | 2015-12-03 | — | — | US | disclosed |
| US-20150011485-A1 | COMBINATION THERAPY FOR THE TREATMENT OF DIABETES | JANSSEN PHARMACEUTICA NV (BE) | 2015-01-08 | — | — | US | disclosed |
| US-20150005244-A1 | PHARMACEUTICAL FORMULATIONS | JANSSEN PHARMACEUTICA NV (BE) | 2015-01-01 | — | — | US | disclosed |
| US-20140302137-A1 | FORMULATION FOR CO-THERAPY TREATMENT OF DIABETES | JANSSEN PHARMACEUTICA NV (BE) | 2014-10-09 | — | — | US | disclosed |
| US-20130338087-A1 | PHARMACEUTICAL FORMULATIONS | JANSSEN PHARMACEUTICA NV (BE) | 2013-12-19 | — | — | US | disclosed |
| EP-2568988-A1 | PHARMACEUTICAL FORMULATIONS COMPRISING 1 - (BETA-D-GLUCOPYRANOSYL) - 2 -THIENYLMETHYLBENZENE DERIVATIVES AS INHIBITORS OF SGLT | Janssen Pharmaceutica, N.V. (BE) | 2013-03-20 | — | — | EP | disclosed |
| US-20120115799-A1 | PHARMACEUTICAL FORMULATIONS | JANSSEN PHARMACEUTICA NV (BE) | 2012-05-10 | — | — | US | disclosed |
| US-20120009259-A1 | FORMULATION FOR CO-THERAPY TREATMENT OF DIABETES | JANSSEN PHARMACEUTICA NV (BE) | 2012-01-12 | — | — | US | disclosed |
| WO-2011143296-A1 | PHARMACEUTICAL FORMULATIONS COMPRISING 1 - (BETA-D-GLUCOPYRANOSYL) - 2 -THIENYLMETHYLBENZENE DERIVATIVES AS INHIBITORS OF SGLT | JANSSEN PHARMACEUTICA NV (BE) | 2011-11-17 | — | — | WO | disclosed |
| US-20110009347-A1 | COMBINATION THERAPY FOR THE TREATMENT OF DIABETES | JANSSEN PHARMACEUTICA N.V. (BE) | 2011-01-13 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20150011485-A1 | COMBINATION THERAPY FOR THE TREATMENT OF DIABETES | SLC5A2, SLC5A1, SLC2A2 | TSHR 3020/4885ALDH1A1 1861/4885TDP1 3974/4885 |
| US-20150005244-A1 | PHARMACEUTICAL FORMULATIONS | SLC5A1, SLC10A1, ABCB11 | TSHR 3223/4885ALDH1A1 481/4885TDP1 2650/4885 |
| US-20160089360-A1 | COMBINATION THERAPY FOR THE TREATMENT OF DIABETES | SLC5A2, SLC5A1, SLC2A2 | TSHR 3020/4885ALDH1A1 1861/4885TDP1 3974/4885 |
| US-20140302137-A1 | FORMULATION FOR CO-THERAPY TREATMENT OF DIABETES | SLC5A2, SLC2A2, SLC5A1 | TSHR 3671/4885ALDH1A1 2197/4885TDP1 4014/4885 |
| US-20130338087-A1 | PHARMACEUTICAL FORMULATIONS | SLC5A1, SLC10A1, ABCB11 | TSHR 3223/4885ALDH1A1 481/4885TDP1 2650/4885 |
| US-20150342926-A1 | FORMULATION FOR CO-THERAPY TREATMENT OF DIABETES | SLC5A2, SLC2A2, SLC5A1 | TSHR 3671/4885ALDH1A1 2197/4885TDP1 4014/4885 |
| US-20120009259-A1 | FORMULATION FOR CO-THERAPY TREATMENT OF DIABETES | SLC5A2, SLC2A2, SLC5A1 | TSHR 3671/4885ALDH1A1 2197/4885TDP1 4014/4885 |
| US-20120115799-A1 | PHARMACEUTICAL FORMULATIONS | SLC5A1, SLC10A1, ABCB11 | TSHR 3223/4885ALDH1A1 481/4885TDP1 2650/4885 |
| US-20170112806-A1 | PHARMACEUTICAL FORMULATIONS | SLC5A1, SLC10A1, ABCB11 | TSHR 3223/4885ALDH1A1 481/4885TDP1 2650/4885 |
| US-20170128414-A1 | COMBINATION THERAPY FOR THE TREATMENT OF DIABETES | SLC5A2, SLC5A1, SLC2A2 | TSHR 3020/4885ALDH1A1 1861/4885TDP1 3974/4885 |
| US-20110009347-A1 | COMBINATION THERAPY FOR THE TREATMENT OF DIABETES | SLC5A2, SLC5A1, SLC2A2 | TSHR 3020/4885ALDH1A1 1861/4885TDP1 3974/4885 |
| US-11576894-B2 | Combination therapy for the treatment of diabetes | SLC5A2, SLC5A1, SLC2A2 | TSHR 3020/4885ALDH1A1 1861/4885TDP1 3974/4885 |
| US-10617668-B2 | Pharmaceutical formulations | SLC5A1, SLC10A1, ABCB11 | TSHR 3223/4885ALDH1A1 481/4885TDP1 2650/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.