Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PI4KA | P42356 | 7/20 | 0.39 |
| ▸ | PI4K2B | Q8TCG2 | 7/20 | 0.39 |
| ▸ | PI4K2A | Q9BTU6 | 7/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 7/20 | 0.39 |
| ▸ | XDH | P47989 | 2/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.37 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.35 |
| ▸ | PNP | P00491 | 2/20 | 0.33 |
| ▸ | 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 SCHEMBL27690901 | 0.95 | PI4KA (0.40) | CYP1A2CYP3A4NFKB1THPOBLM | |
| Adenine SCHEMBL40370 | 0.95 | PI4KA (0.40) | CYP1A2CYP3A4NFKB1THPOBLM | |
| Adenine SCHEMBL8426316 | 0.93 | PI4KA (0.42) | CYP1A2CYP3A4NFKB1THPOBLM | |
| Adenine SCHEMBL6388001 | 0.93 | PI4KA (0.39) | CYP1A2CYP3A4NFKB1THPOBLM | |
| Adenine SCHEMBL27773964 | 0.93 | PI4KA (0.39) | CYP1A2CYP3A4NFKB1THPOBLM | |
| Adenine SCHEMBL1871837 | 0.89 | PI4KA (0.44) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL18260155 | 0.87 | PI4KA (0.35) | CYP1A2CYP3A4NFKB1THPOBLM | |
| Adenine SCHEMBL385841 | 0.87 | PI4KA (0.45) | PI4KAPI4K2BPI4K2API4KBXDH | |
| Adenine SCHEMBL8110 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1504014-B1 | PROCESS FOR PREPARATION OF CYCLIC PRODRUGS OF PMEA AND PMPA | METABASIS THERAPEUTICS INC (US) | 2015-12-02 | — | — | EP | disclosed |
| EP-1504014-A4 | PROCESS FOR PREPARATION OF CYCLIC PRODRUGS OF PMEA AND PMPA | METABASIS THERAPEUTICS INC (US) | 2006-06-07 | — | — | EP | disclosed |
| EP-1504014-A2 | PROCESS FOR PREPARATION OF CYCLIC PRODRUGS OF PMEA AND PMPA | Metabasis Therapeutics, Inc. (US) | 2005-02-09 | — | — | EP | disclosed |
| WO-2003095665-A2 | PMEA AND PMPA CYCLIC PRODUCING SYNTHESIS | METABASIS THERAPEUTICS, INC. (US) | 2003-11-20 | — | — | WO | disclosed |