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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.54 |
| ▸ | ALB | P02768 | 1/20 | 0.54 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.54 |
| ▸ | ADCY5 | O95622 | 6/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | AHCY | P23526 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Carbovir SCHEMBL180360 | 0.81 | NR1I2 (0.56) | NR1I2ALBPDE4DADCY5BCHE | |
| Carbovir SCHEMBL8447674 | 0.81 | NR1I2 (0.56) | NR1I2ALBPDE4DADCY5BCHE | |
| SCHEMBL6554851 | 0.81 | NR1I2 (0.56) | NR1I2ALBPDE4DADCY5ABCB1 | |
| Carbovir SCHEMBL19237554 | 0.81 | NR1I2 (0.56) | NR1I2ALBPDE4DADCY5BCHE | |
| SCHEMBL6554844 | 0.81 | NR1I2 (0.56) | NR1I2ALBPDE4DADCY5ABCB1 | |
| SCHEMBL23587713 | 0.81 | NR1I2 (0.56) | NR1I2ALBPDE4DADCY5ABCB1 | |
| Carbovir SCHEMBL9867194 | 0.81 | NR1I2 (0.56) | NR1I2ALBPDE4DADCY5BCHE | |
| Carbovir SCHEMBL3778804 | 0.81 | NR1I2 (0.56) | NR1I2ALBPDE4DADCY5BCHE | |
| SCHEMBL23587640 | 0.81 | NR1I2 (0.48) | NR1I2ALBPDE4DADCY5ABCB1 | |
| Hydrochloric Acid SCHEMBL9287359 | 0.81 | NR1I2 (0.55) | NR1I2ALBPDE4DADCY5ABCB1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20010031745-A1 | Antiviral purine derivatives | UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) | 2001-10-18 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20010031745-A1 | Antiviral purine derivatives | PNP, TYMP, MTAP | NR1I2 2528/4885ALB 2241/4885PDE4D 662/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.