Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Adenine. 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 | |
|---|---|---|---|---|
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.47 |
| ▸ | ADORA2A known ✓ | P29274 | 4/20 | 0.39 |
| ▸ | ADORA1 known ✓ | P30542 | 4/20 | 0.39 |
| ▸ | BTK known ✓ | Q06187 | 1/20 | 0.33 |
| ▸ | ADORA2B known ✓ | P29275 | 2/20 | 0.32 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.32 |
| ▸ | PI4KA | P42356 | 7/20 | 0.47 |
| ▸ | PI4K2B | Q8TCG2 | 7/20 | 0.47 |
| ▸ | PI4K2A | Q9BTU6 | 7/20 | 0.47 |
| ▸ | PI4KB | Q9UBF8 | 7/20 | 0.47 |
| ▸ | XDH | P47989 | 2/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.38 |
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.33 |
| ▸ | PNP | P00491 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.32 |
| ▸ | PRKCI | P41743 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Adenine SCHEMBL2895675 | 1.00 | PI4KA (0.47) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL2428541 | 0.98 | PI4KA (0.48) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL2428538 | 0.98 | PI4KA (0.48) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL3416954 | 0.98 | PI4KA (0.48) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL3413247 | 0.98 | PI4KA (0.48) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL8110 | 0.98 | PI4KA (0.48) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL4595803 | 0.95 | PI4KA (0.47) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL7204509 | 0.95 | PI4KA (0.50) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL9214447 | 0.95 | PI4KA (0.47) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL691914 | 0.95 | PI4KA (0.47) | PI4KAPI4K2BPI4K2API4KBXDH |
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 |
|---|---|---|---|---|---|---|---|
| US-7811397-B2 | Gas generating agent | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2010-10-12 | — | — | US | disclosed |
| US-20060065338-A1 | Gas generating agent | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2006-03-30 | — | — | US | disclosed |