Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Abacavir. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.89 |
| ▸ | ALB | P02768 | 1/20 | 0.89 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.89 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.72 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | ADCY5 | O95622 | 6/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Abacavir SCHEMBL51932 | 1.00 | NR1I2 (0.89) | NR1I2ALBPDE4DABCB1BCHE | |
| Abacavir SCHEMBL51933 | 1.00 | NR1I2 (0.89) | NR1I2ALBPDE4DABCB1BCHE | |
| Abacavir SCHEMBL6896276 | 1.00 | NR1I2 (0.89) | NR1I2ALBPDE4DABCB1BCHE | |
| Abacavir SCHEMBL6094190 | 0.96 | NR1I2 (0.82) | NR1I2ALBPDE4DABCB1BCHE | |
| Abacavir SCHEMBL6898682 | 0.96 | NR1I2 (0.85) | NR1I2ALBPDE4DABCB1BCHE | |
| Abacavir SCHEMBL6898685 | 0.96 | NR1I2 (0.85) | NR1I2ALBPDE4DABCB1BCHE | |
| Abacavir SCHEMBL1492161 | 0.96 | NR1I2 (0.85) | NR1I2ALBPDE4DABCB1BCHE | |
| Abacavir SCHEMBL1575900 | 0.96 | NR1I2 (0.85) | NR1I2ALBPDE4DABCB1BCHE | |
| Abacavir SCHEMBL28427025 | 0.96 | NR1I2 (0.89) | NR1I2ALBPDE4DABCB1BCHE | |
| Abacavir SCHEMBL1575076 | 0.96 | NR1I2 (0.89) | NR1I2ALBPDE4DABCB1BCHE |
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-0983271-B1 | CARBOCYCLIC NUCLEOSIDE HEMISULFATE AND ITS USE IN TREATING VIRAL INFECTIONS | GLAXO GROUP LTD (GB) | 2004-02-18 | — | — | EP | disclosed |
| EP-0777669-B1 | 4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL SUCCINATE AS ANTIVIRAL AGENT | WELLCOME FOUND (GB) | 2002-07-03 | — | — | EP | disclosed |
| EP-1051156-A2 | PHARMACEUTICAL COMPOSITIONS | GLAXO GROUP LIMITED (GB) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999039691-A2 | PHARMACEUTICAL COMPOSITIONS | GLAXO GROUP LIMITED (GB) | 1999-08-12 | — | — | WO | disclosed |