Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 3-Nitroaniline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.55 |
| ▸ | HSP90AA1 known ✓ | P07900 | 1/20 | 0.53 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.53 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.52 |
| ▸ | PDE7A known ✓ | Q13946 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.96 |
| ▸ | TSHR | P16473 | 5/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.55 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.55 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.55 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.55 |
| ▸ | CA5A | P35218 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| 3-Nitroaniline SCHEMBL1487 | 0.98 | ALDH1A1 (1.00) | ALDH1A1TSHRLMNATDP1ALOX15 | |
| 3-Nitroaniline SCHEMBL29364768 | 0.98 | ALDH1A1 (1.00) | ALDH1A1TSHRLMNATDP1ALOX15 | |
| 3-Nitroaniline SCHEMBL28600566 | 0.96 | ALDH1A1 (0.96) | ALDH1A1TSHRLMNATDP1ALOX15 | |
| 3-Nitroaniline SCHEMBL2353805 | 0.96 | ALDH1A1 (0.96) | ALDH1A1TSHRLMNATDP1ALOX15 | |
| 3-Nitroaniline SCHEMBL356239 | 0.96 | ALDH1A1 (0.96) | ALDH1A1TSHRLMNATDP1ALOX15 | |
| 3-Nitroaniline SCHEMBL11094205 | 0.96 | ALDH1A1 (0.96) | ALDH1A1TSHRLMNATDP1ALOX15 | |
| 3-Nitroaniline SCHEMBL27746391 | 0.94 | ALDH1A1 (0.92) | ALDH1A1TSHRLMNATDP1ALOX15 | |
| 3-Nitroaniline SCHEMBL9655916 | 0.92 | ALDH1A1 (0.88) | ALDH1A1TSHRLMNATDP1ALOX15 | |
| 3-Nitroaniline SCHEMBL28807505 | 0.92 | ALDH1A1 (0.88) | ALDH1A1TSHRLMNATDP1ALOX15 | |
| 3-Nitroaniline SCHEMBL29077622 | 0.92 | ALDH1A1 (0.88) | ALDH1A1TSHRLMNATDP1ALOX15 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1800185-A | Substituted sulfonamide compounds, process for their use as medicament for the treatment of CNS disorders, obesity and type II diabetes. | BIOVITRUM AB (SE) | 2006-07-12 | — | — | CN | claimed |
| CN-1522245-A | Substituted sulfonamide compounds, process for their preparation and their use as medicaments for the treatment of CNS disorders, obesity and type II diabetes | �Ȱ�ά����ķ�ɷݹ�˾ | 2004-08-18 | — | — | CN | claimed |
| CN-102190901-B | Intermediate transfer belt, method of preparing the belt, and image forming method and apparatus using the belt | RICOH CO LTD | 2014-06-11 | — | — | CN | disclosed |
| CN-102190901-A | Intermediate transfer belt, method of preparing the belt, and image forming method and apparatus using the belt | RICOH CO LTD | 2011-09-21 | — | — | CN | disclosed |
| CN-101402601-A | Substituted sulfonamide compounds, process for their use as medicament for the treatment of cns disorders, obesity and type ii diabetes | BIOVITRUM AB PUBL (SE) | 2009-04-08 | — | — | CN | disclosed |
| CN-100457726-C | Substituted sulfonamide compounds, process for their preparation and their use as medicaments for the treatment of CNS disorders, obesity and type II diabetes | CAMBRIDGE BIOTECHNOLOGY LTD (SE) | 2009-02-04 | — | — | CN | disclosed |
| CN-1800185-A | Substituted sulfonamide compounds, process for their use as medicament for the treatment of CNS disorders, obesity and type II diabetes. | BIOVITRUM AB (SE) | 2006-07-12 | — | — | CN | disclosed |
| CN-1522245-A | Substituted sulfonamide compounds, process for their preparation and their use as medicaments for the treatment of CNS disorders, obesity and type II diabetes | �Ȱ�ά����ķ�ɷݹ�˾ | 2004-08-18 | — | — | CN | disclosed |
| US-5998399-A | Guanidine derivatives useful in therapy as inhibitors of nitric oxide synthetase | ASTRA AKTIEBOLAG (SE) | 1999-12-07 | — | — | US | disclosed |
| EP-0690851-B1 | GUANIDINE DERIVATIVES USEFUL IN THERAPY | ASTRA AB (SE) | 1999-05-19 | — | — | EP | disclosed |
| US-5885985-A | Guanidine derivatives useful in therapy | ASTRA AKTIEBOLAG (SE) | 1999-03-23 | — | — | US | disclosed |
| US-5792830-A | CONTACTING ANILINE MONOMERS WITH HYDROGEN PEROXIDE, ACID, CATALYTIC AMOUNT OF METAL COMPOUND IN BATCH PROCESS | THE DOW CHEMICAL COMPANY (US) | 1998-08-11 | — | — | US | disclosed |
| US-5508450-A | INHIBITORY EFFECT ON MAILLARD REACTION AND ANTIOXIDIZING EFFECT; TREATS OR PREVENTS DIABETIC COMPLICATIONS | ONO PHARMACEUTICAL CO., LTD. (JP) | 1996-04-16 | — | — | US | disclosed |
| EP-0690851-A1 | GUANIDINE DERIVATIVES USEFUL IN THERAPY | Astra Aktiebolag (SE) | 1996-01-10 | — | — | EP | disclosed |
| US-5384414-A | Compounds with guanidine groups | ONO PHARMACEUTICAL CO., LTD. (JP) | 1995-01-24 | — | — | US | disclosed |
| WO-1994021621-A1 | GUANIDINE DERIVATIVES USEFUL IN THERAPY | ASTRA AKTIEBOLAG (SE) | 1994-09-29 | — | — | WO | disclosed |
| US-5266709-A | Treatment of diabetic complications | ONO PHARMACEUTICAL CO., LTD. (JP) | 1993-11-30 | — | — | US | disclosed |
| US-5169957-A | Antidiabetic agents | ONO PHARMACEUTICAL CO., LTD. (JP) | 1992-12-08 | — | — | US | disclosed |
| US-5055598-A | Prevention and treatment of diabetic complications, diseases of aging and formation of peroxidized fat; antioxidants | ONO PHARMACEUTICAL CO., LTD. (JP) | 1991-10-08 | — | — | US | disclosed |
| US-4206215-A | Antimicrobial bis-[4-(substituted-amino)-1-pyridinium]alkanes | STERLING DRUG INC. (US) | 1980-06-03 | — | — | US | disclosed |