Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CALCRLCHRM1CHRM2CHRM3F2RMAOAMAOBMAP2K1MAP2K2NTRK1NTRK2NTRK3OPRD1OPRK1OPRM1P2RY12PKLRSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASLC18A2SLC6A2SLC6A3TLR7TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8dacAdacBdacCfolAftsImrcAmrcBmrdApolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmB1rpmB2rpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmHrpmIrpmJrpmJ2rpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsR1rpsR2rpsSrpsTrpsUrpsZykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | PI4KA | P42356 | 4/20 | 0.40 |
| ▸ | PI4K2B | Q8TCG2 | 4/20 | 0.40 |
| ▸ | PI4K2A | Q9BTU6 | 4/20 | 0.40 |
| ▸ | PI4KB | Q9UBF8 | 4/20 | 0.40 |
| ▸ | XDH | P47989 | 2/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | PNP | P00491 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 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 SCHEMBL40370 | 1.00 | PI4KA (0.40) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL27773964 | 0.98 | PI4KA (0.39) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL6388001 | 0.98 | PI4KA (0.39) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL8426316 | 0.98 | PI4KA (0.42) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL5663794 | 0.95 | CYP1A2 (0.43) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL10790458 | 0.89 | NOTUM (0.34) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL18260155 | 0.89 | PI4KA (0.35) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL385841 | 0.88 | PI4KA (0.45) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL3416954 | 0.88 | PI4KA (0.48) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL8110 | 0.88 | PI4KA (0.48) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101392225-B | Recombinant yeast for preparing -4-chloro-3-hydroxybutanoate through asymmetric transformation and construction method and application thereof | NANJING UNIVERSITY OF TECHNOLOGY | 2012-06-27 | — | — | CN | disclosed |
| CN-101103701-B | Curcuma wenyujin detoxicating and quick reproduction method | UNIV ZHEJIANG | 2010-06-30 | — | — | CN | disclosed |
| CN-101392225-A | Recombinant yeast for preparing -4-chloro-3-hydroxybutanoate through asymmetric transformation and construction method and application thereof | NANJING UNIVERSITY OF TECHNOLOGY (CN) | 2009-03-25 | — | — | CN | disclosed |
| CN-101103701-A | Curcuma wenyujin detoxicating and quick reproduction method | UNIV ZHEJIANG (CN) | 2008-01-16 | — | — | CN | disclosed |