Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Nisoxetine. 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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 10/20 | 1.00 |
| ▸ | SLC6A4 known ✓ | P31645 | 13/20 | 0.97 |
| ▸ | SLC6A3 known ✓ | Q01959 | 3/20 | 0.97 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.71 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.71 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.71 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.71 |
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.71 |
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.71 |
| ▸ | DRD3 known ✓ | P35462 | 2/20 | 0.71 |
| ▸ | OPRK1 known ✓ | P41145 | 2/20 | 0.71 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.71 |
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.71 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 2/20 | 0.71 |
| ▸ | PMP22 | Q01453 | 2/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.97 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.97 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.97 |
| ▸ | TSHR | P16473 | 3/20 | 0.97 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.97 |
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 | |
|---|---|---|---|---|
| Nisoxetine SCHEMBL29440249 | 1.00 | SLC6A2 (1.00) | SLC6A2PMP22SLC6A4CYP2D6CYP1A2 | |
| Nisoxetine SCHEMBL124289 | 0.98 | SLC6A4 (1.00) | SLC6A2PMP22SLC6A4CYP2D6CYP1A2 | |
| Nisoxetine SCHEMBL3897550 | 0.98 | SLC6A4 (1.00) | SLC6A2PMP22SLC6A4CYP2D6CYP1A2 | |
| Nisoxetine SCHEMBL30026153 | 0.98 | SLC6A4 (1.00) | SLC6A2PMP22SLC6A4CYP2D6CYP1A2 | |
| Nisoxetine SCHEMBL29401038 | 0.98 | SLC6A4 (1.00) | SLC6A2PMP22SLC6A4CYP2D6CYP1A2 | |
| Nisoxetine SCHEMBL3892886 | 0.98 | SLC6A4 (1.00) | SLC6A2PMP22SLC6A4CYP2D6CYP1A2 | |
| Nisoxetine SCHEMBL14973458 | 0.95 | SLC6A4 (0.94) | SLC6A2PMP22SLC6A4CYP2D6CYP1A2 | |
| Nisoxetine SCHEMBL4083146 | 0.92 | SLC6A4 (0.86) | SLC6A2PMP22SLC6A4CYP2D6CYP1A2 | |
| [3H]Nisoxetine SCHEMBL29463855 | 0.88 | SLC6A2 (1.00) | SLC6A2PMP22SLC6A4CYP2D6CYP1A2 | |
| Atomoxetine SCHEMBL649168 | 0.85 | SLC6A2 (1.00) | SLC6A2PMP22SLC6A4CYP2D6CYP1A2 |
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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3923962-A2 | GENE NETWORKS THAT MEDIATE REMYELINATION OF THE HUMAN BRAIN | University of Rochester (US) | 2021-12-22 | — | — | EP | claimed |
| WO-2020167822-A2 | GENE NETWORKS THAT MEDIATE REMYELINATION OF THE HUMAN BRAIN | UNIVERSITY OF ROCHESTER (US) | 2020-08-20 | — | — | WO | claimed |
| US-20170112829-A1 | USE OF COMPOUNDS BINDING TO THE SIGMA RECEPTOR LIGANDS FOR THE TREATMENT OF NEUROPATHIC PAIN DEVELOPING AS A CONSEQUENCE OF CHEMOTHERAPY | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2017-04-27 | — | — | US | claimed |
| US-20110052723-A1 | USE OF COMPOUNDS BINDING TO THE SIGMA RECEPTOR LIGANDS FOR THE TREATMENT OF NEUROPATHIC PAIN DEVELOPING AS A CONSEQUENCE OF CHEMOTHERAPY | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2011-03-03 | — | — | US | claimed |
| EP-2090311-A1 | Use of compounds binding to the sigma receptor ligands for the treatment of neuropathic pain developing as a consequence of chemotherapy | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2009-08-19 | — | — | EP | claimed |
| US-20090042898-A1 | USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECANICAL ALLODYNIA | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2009-02-12 | — | — | US | claimed |
| EP-1829534-A1 | Use of compounds binding to the sigma receptor for the treatment of metabolic syndrome | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-09-05 | — | — | EP | claimed |
| EP-1787679-A1 | Use of compounds binding to the sigma receptor for the treatment of diabetes-associated pain | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-05-23 | — | — | EP | claimed |
| US-20230057355-A1 | GENE NETWORKS THAT MEDIATE REMYELINATION OF THE HUMAN BRAIN | UNIVERSITY OF ROCHESTER | 2023-02-23 | — | — | US | disclosed |
| EP-3923962-A2 | GENE NETWORKS THAT MEDIATE REMYELINATION OF THE HUMAN BRAIN | University of Rochester (US) | 2021-12-22 | — | — | EP | disclosed |
| US-20200323797-A1 | Treatment of Obesity-related Conditions | INSTITUTO DE MEDICINA MOLECULAR JOAO LOBO ANTUNES (PT) | 2020-10-15 | — | — | US | disclosed |
| WO-2020167822-A2 | GENE NETWORKS THAT MEDIATE REMYELINATION OF THE HUMAN BRAIN | UNIVERSITY OF ROCHESTER (US) | 2020-08-20 | — | — | WO | disclosed |
| EP-3692042-A1 | TREATMENT OF OBESITY-RELATED CONDITIONS | Instituto de Medicina Molecular João Lobo Antunes (PT) | 2020-08-12 | — | — | EP | disclosed |
| WO-2019076675-A1 | TREATMENT OF OBESITY-RELATED CONDITIONS | INSTITUTO DE MEDICINA MOLECULAR (PT) | 2019-04-25 | — | — | WO | disclosed |
| US-5068432-A | Amination and etherification of a halo alcohol and resolution of a racemic mixture | ALDRICH CHEMICAL COMPANY, INC. (US) | 1991-11-26 | — | — | US | disclosed |
| US-4950791-A | REDUCING HALO-SUBSTITUTED PHENYLALKYLKETONE TO FORM ALCOHOL, REACTING ALCOHOL WITH AMINE | SIGMA ALDRICH CO. | 1990-08-21 | — | — | US | disclosed |
| US-4918207-A | PURITY; ENANTIOMORPHS | ALDRICH CHEMICAL CO., INC. (US) | 1990-04-17 | — | — | US | disclosed |
| US-4918246-A | REDUCING HALOKETONE WITH DIISOPINOCAMPHEYLBORANE | ALDRICH CHEMICAL COMPANY, INC. (US) | 1990-04-17 | — | — | US | disclosed |
| US-4918242-A | Novel optically 1,3-phenoxypropylhalides | ALDRICH CHEMICAL COMPANY, INC. (US) | 1990-04-17 | — | — | US | disclosed |
| US-4868344-A | OPTICALLY PURE HALOALCOHOLS | ALDRICH-BORANES, INC. (US) | 1989-09-19 | — | — | 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 (2 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-20090042898-A1 | USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECANICAL ALLODYNIA | OPRM1, OPRL1, OPRK1 | SLC6A2 183/4885SLC6A4 237/4885SLC6A3 277/4885 |
| US-20200323797-A1 | Treatment of Obesity-related Conditions | SLC6A2, SLC6A3, SLC2A1 | SLC6A2 1/4885SLC6A4 6/4885SLC6A3 2/4885 |
“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.