Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Lopinavir. 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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 1.00 |
| ▸ | ABCC3 | O15438 | 1/20 | 1.00 |
| ▸ | ABCC4 | O15439 | 1/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 1/20 | 1.00 |
| ▸ | PGR | P06401 | 1/20 | 1.00 |
| ▸ | ABCB1 | P08183 | 1/20 | 1.00 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 1.00 |
| ▸ | CHRM1 | P11229 | 1/20 | 1.00 |
| ▸ | TBXA2R | P21731 | 1/20 | 1.00 |
| ▸ | ADRA1A | P35348 | 1/20 | 1.00 |
| ▸ | OPRM1 | P35372 | 1/20 | 1.00 |
| ▸ | HTR2B | P41595 | 1/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 1/20 | 1.00 |
| ▸ | SCN5A | Q14524 | 1/20 | 1.00 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 1.00 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CTSD | P07339 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Lopinavir SCHEMBL673770 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL825826 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL28365789 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL21775 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL18898529 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL3042268 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL13370718 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL22241592 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL22382744 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL12270816 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR |
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-20100286032-A1 | PRODRUGS OF HIV PROTEASE INHIBITORS | ABBOTT LABORATORIES (US) | 2010-11-11 | — | — | 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-20100286032-A1 | PRODRUGS OF HIV PROTEASE INHIBITORS | PREP, PEPD, SERPINB1 | CYP3A4 151/4885ABCC3 976/4885ABCC4 1295/4885 |
“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.