Known targets — ChEMBL curated mechanism
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
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 | |
|---|---|---|---|---|
| ▸ | FGFR1 known ✓ | P11362 | 1/20 | 0.34 |
| ▸ | PI4KA | P42356 | 4/20 | 0.39 |
| ▸ | PI4K2B | Q8TCG2 | 4/20 | 0.39 |
| ▸ | PI4K2A | Q9BTU6 | 4/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 4/20 | 0.39 |
| ▸ | XDH | P47989 | 2/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | PNP | P00491 | 1/20 | 0.32 |
| ▸ | FBP1 | P09467 | 1/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | ERAP1 | Q9NZ08 | 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 SCHEMBL8509836 | 1.00 | PI4KA (0.39) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL4908366 | 0.98 | PI4KA (0.38) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL1035727 | 0.98 | PI4KA (0.40) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL338435 | 0.98 | PI4KA (0.40) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL9275554 | 0.91 | PI4KA (0.38) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL27739991 | 0.89 | PI4KA (0.47) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL385841 | 0.87 | PI4KA (0.45) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL4887728 | 0.87 | PI4KA (0.45) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL3416954 | 0.87 | PI4KA (0.48) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL3414603 | 0.87 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130065257-A1 | ENZYME-LOGIC BIOSENSING | NAVY, SECRETARY OF THE UNITED STATES OF AMERICA | 2013-03-14 | — | — | US | disclosed |
| WO-2011116151-A2 | ENZYME-LOGIC BIOSENSING | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-09-22 | — | — | WO | disclosed |