Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Neocuproine. 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 | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.47 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.43 |
| ▸ | MEN1 known ✓ | O00255 | 4/20 | 0.39 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 2/20 | 0.94 |
| ▸ | RAB9A | P51151 | 1/20 | 0.94 |
| ▸ | CCR5 | P51681 | 1/20 | 0.94 |
| ▸ | METAP2 | P50579 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | CCR8 | P51685 | 1/20 | 0.39 |
| ▸ | SLC40A1 | Q9NP59 | 2/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Neocuproine SCHEMBL229136 | 1.00 | CCR1 (0.94) | CCR1RAB9ACCR5METAP2PARP1 | |
| Neocuproine SCHEMBL31709522 | 1.00 | CCR1 (0.94) | CCR1RAB9ACCR5METAP2PARP1 | |
| Neocuproine SCHEMBL6082081 | 0.97 | CCR1 (0.88) | CCR1RAB9ACCR5METAP2PARP1 | |
| Neocuproine SCHEMBL30183159 | 0.97 | CCR1 (0.88) | CCR1RAB9ACCR5METAP2PARP1 | |
| Neocuproine SCHEMBL11672280 | 0.97 | CCR1 (1.00) | CCR1RAB9ACCR5METAP2PARP1 | |
| Neocuproine SCHEMBL29367091 | 0.97 | CCR1 (1.00) | CCR1RAB9ACCR5METAP2PARP1 | |
| Neocuproine SCHEMBL29639703 | 0.97 | CCR1 (1.00) | CCR1RAB9ACCR5METAP2PARP1 | |
| Neocuproine SCHEMBL124563 | 0.97 | CCR1 (1.00) | CCR1RAB9ACCR5METAP2PARP1 | |
| Neocuproine SCHEMBL5385744 | 0.94 | CCR1 (0.94) | CCR1RAB9ACCR5METAP2PARP1 | |
| Neocuproine SCHEMBL10373258 | 0.94 | CCR1 (0.94) | CCR1RAB9ACCR5METAP2PARP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104387407-A | 6-methyl-6H-benzo[4, 5]thiophene[2, 3-b]indole and derivatives thereof as well as synthesis method of 6-methyl-6H-benzo[4, 5]thiophene[2, 3-b]indole and derivatives thereof | UNIV XIANGTAN | 2015-03-04 | — | — | CN | claimed |
| US-5790627-A | Method and apparatus for observing a specimen using an X-ray microscope | RESEARCH DEVELOPMENT CORP. (JP) | 1998-08-04 | — | — | US | disclosed |