Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Ipidacrine. 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 | 11/20 | 0.95 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.95 |
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.52 |
| ▸ | CACNB4 known ✓ | O00305 | 1/20 | 0.50 |
| ▸ | CACNA1A known ✓ | O00555 | 1/20 | 0.50 |
| ▸ | CACNA1G known ✓ | O43497 | 1/20 | 0.50 |
| ▸ | CACNG3 known ✓ | O60359 | 1/20 | 0.50 |
| ▸ | CACNA1F known ✓ | O60840 | 1/20 | 0.50 |
| ▸ | CACNA1H known ✓ | O95180 | 1/20 | 0.50 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.50 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.50 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.50 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.50 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.50 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.50 |
| ▸ | CACNB3 known ✓ | P54284 | 1/20 | 0.50 |
| ▸ | CACNA2D1 known ✓ | P54289 | 1/20 | 0.50 |
| ▸ | CACNG7 known ✓ | P62955 | 1/20 | 0.50 |
| ▸ | CACNA1B known ✓ | Q00975 | 1/20 | 0.50 |
| ▸ | CACNA1D known ✓ | Q01668 | 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 | |
|---|---|---|---|---|
| Ipidacrine SCHEMBL29751898 | 0.98 | ACHE (0.91) | ACHEMAPK1MEN1KMT2ABPTF | |
| Ipidacrine SCHEMBL6633743 | 0.98 | ACHE (0.91) | ACHEMAPK1MEN1KMT2ABPTF | |
| Ipidacrine SCHEMBL28251 | 0.97 | ACHE (1.00) | ACHEMAPK1MEN1KMT2ABPTF | |
| Ipidacrine SCHEMBL29382648 | 0.97 | ACHE (1.00) | ACHEMAPK1MEN1KMT2ABPTF | |
| Ipidacrine SCHEMBL1032513 | 0.95 | ACHE (0.95) | ACHEMAPK1MEN1KMT2ABPTF | |
| SCHEMBL20681035 | 0.95 | ACHE (0.95) | ACHEMAPK1MEN1KMT2ABPTF | |
| Octaaminoacridine SCHEMBL12507982 | 0.95 | ACHE (1.00) | ACHEMAPK1MEN1KMT2ABPTF | |
| SCHEMBL22021195 | 0.90 | ACHE (0.86) | ACHEMAPK1MEN1KMT2ABPTF | |
| SCHEMBL30162181 | 0.90 | ACHE (0.86) | ACHEMAPK1MEN1KMT2ABPTF | |
| Ipidacrine SCHEMBL7540743 | 0.85 | ACHE (0.76) | ACHEMAPK1MEN1KMT2ABPTF |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4550113-A | 9-Amino-2,3,5,6,7,8-hexahydro-1H-cyclopenta(b)quinoline monohydrate hydrochloride as stimulant of neuro-muscular transmission of smooth muscles | NAUCHNO-ISSLEDOVATELSKY INSTITUT PO BIOLOGICHESKIKM ISPYTANIYAM KHIMICHESKIKH SOEDINENY (SU) | 1985-10-29 | — | — | US | claimed |
| US-6433173-B1 | DRUG FOR CENTRAL NERVOUS SYSTEM DISORDERS | NIKKEN CHEMICALS CO., LTD. (JP) | 2002-08-13 | — | — | US | disclosed |
| EP-1201656-A1 | PROCESSES FOR THE PREPARATION OF IPIDACRINE OR IPIDACRINE HYDROCHLORIDE HYDRATE | Nikken Chemicals Company, Limited (JP) | 2002-05-02 | — | — | EP | disclosed |