Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Sitamaquine. 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 | |
|---|---|---|---|---|
| ▸ | HSP90AA1 known ✓ | P07900 | 11/20 | 0.53 |
| ▸ | HSP90AB1 known ✓ | P08238 | 11/20 | 0.53 |
| ▸ | HTR1A known ✓ | P08908 | 3/20 | 0.47 |
| ▸ | ADRA1D known ✓ | P25100 | 3/20 | 0.47 |
| ▸ | ADRA1A known ✓ | P35348 | 3/20 | 0.47 |
| ▸ | ADRA1B known ✓ | P35368 | 3/20 | 0.47 |
| ▸ | KIT known ✓ | P10721 | 1/20 | 0.47 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.45 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.42 |
| ▸ | NSD2 | O96028 | 2/20 | 0.64 |
| ▸ | CASP6 | P55212 | 2/20 | 0.64 |
| ▸ | RAD52 | P43351 | 1/20 | 0.58 |
| ▸ | CASP7 | P55210 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Sitamaquine SCHEMBL1230457 | 1.00 | NSD2 (0.64) | NSD2CASP6RAD52CASP7HSP90AA1 | |
| Sitamaquine SCHEMBL1070741 | 0.99 | NSD2 (0.65) | NSD2CASP6RAD52CASP7HSP90AA1 | |
| Sitamaquine SCHEMBL29811198 | 0.99 | NSD2 (0.65) | NSD2CASP6RAD52CASP7HSP90AA1 | |
| SCHEMBL14424700 | 0.99 | NSD2 (0.65) | NSD2CASP6RAD52CASP7HSP90AA1 | |
| Sitamaquine SCHEMBL1650398 | 0.98 | NSD2 (0.64) | NSD2CASP6RAD52CASP7HSP90AA1 | |
| SCHEMBL14424702 | 0.92 | NSD2 (0.59) | NSD2CASP6RAD52CASP7HSP90AA1 | |
| SCHEMBL14424685 | 0.92 | NSD2 (0.64) | NSD2CASP6RAD52CASP7HSP90AA1 | |
| SCHEMBL14424692 | 0.92 | NSD2 (0.64) | NSD2CASP6RAD52CASP7HSP90AA1 | |
| Sitamaquine SCHEMBL2933465 | 0.88 | NSD2 (0.54) | NSD2CASP6RAD52CASP7HSP90AA1 | |
| Hydrochloric Acid SCHEMBL11541621 | 0.84 | NSD2 (0.69) | NSD2CASP6RAD52CASP7HSP90AA1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-7884090-B2 | Administering purine nucleoside for treatment of arthritis inflammation | Bonner, Jr., Ernest L. (US) | 2011-02-08 | — | — | US | disclosed |
| US-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |
| US-20060172956-A1 | Compositions and methods for the treatment of arthritis | FICAAR, INC. (US) | 2006-08-03 | — | — | US | disclosed |
| US-20030181495-A1 | Therapeutic methods employing disulfide derivatives of dithiocarbamates and compositions useful therefor | MEDINOX, INC. | 2003-09-25 | — | — | US | disclosed |
| US-6596770-B2 | Disulfide derivative of a dithiocarbamate is coadministered with an agent that inactivates (or inhibits the production of)the species that induce the expression of nitric oxide synthase | MEDINOX, INC. | 2003-07-22 | — | — | US | disclosed |
| US-6589991-B1 | Treating diseases associated with nuclear factor kappa B pathway; nitric oxide synthase inhibitors, antiinflammatory agents | MEDINOX, INC. | 2003-07-08 | — | — | US | disclosed |
| US-20020151540-A1 | Therapeutic methods employing disulfide derivatives of dithiocarbamates and compositions useful therefor | MEDINOX, INC. | 2002-10-17 | — | — | US | disclosed |
| EP-0977574-A4 | METHODS FOR IN VIVO REDUCTION OF CYANIDE LEVELS AND COMPOSITIONS USEFUL THEREFOR | MEDINOX INC (US) | 2002-05-22 | — | — | EP | disclosed |
| US-6316502-B1 | ADMINISTERING DISULFIDE DERIVATIVE OF DITHIOCARBAMATE COMPOUND TO BIND TO IRON | MEDINOX, INC. | 2001-11-13 | — | — | US | disclosed |
| US-6093743-A | FOR IN VIVO REDUCTION OF LEVELS OF NITRIC OXIDE, SUCH AS ARE INDUCED BY A VARIETY OF DISEASE STATES, AND FOR TREATMENT OF INFECTIOUS AND/OR INFLAMMATORY CONDITIONS | MEDINOX INC. (US) | 2000-07-25 | — | — | US | disclosed |
| EP-0977574-A1 | METHODS FOR IN VIVO REDUCTION OF CYANIDE LEVELS AND COMPOSITIONS USEFUL THEREFOR | Medinox, Inc. (US) | 2000-02-09 | — | — | EP | disclosed |
| US-5858402-A | ADMINISTERING PHYSIOLOGICALLY COMPATIBLE TRANSITION METAL CHELATE OF DITHIOCARBAMATE-CONTAINING CYANIDE SCAVENGER | MEDINOX, INC. (US) | 1999-01-12 | — | — | US | disclosed |
| WO-1998034620-A1 | METHODS FOR IN VIVO REDUCTION OF CYANIDE LEVELS AND COMPOSITIONS USEFUL THEREFOR | MEDINOX, INC. (US) | 1998-08-13 | — | — | WO | disclosed |
| US-4808598-A | LOW LEVELS OF METHEMOGLOBINS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1989-02-28 | — | — | US | disclosed |
| US-4302459-A | Liposome carriers in leishmaniasis chemotherapy with 8-aminoquinoline derivatives | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1981-11-24 | — | — | US | disclosed |