Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ritonavir. 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 known ✓ | P08684 | 20/20 | 1.00 |
| ▸ | CYP3A5 known ✓ | P20815 | 1/20 | 1.00 |
| ▸ | CYP3A7 known ✓ | P24462 | 1/20 | 1.00 |
| ▸ | CYP3A43 known ✓ | Q9HB55 | 1/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 6/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 3/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 3/20 | 1.00 |
| ▸ | MEN1 | O00255 | 1/20 | 1.00 |
| ▸ | SLC22A2 | O15244 | 1/20 | 1.00 |
| ▸ | SLC22A1 | O15245 | 1/20 | 1.00 |
| ▸ | ABCC3 | O15438 | 1/20 | 1.00 |
| ▸ | ABCC4 | O15439 | 1/20 | 1.00 |
| ▸ | MLNR | O43193 | 1/20 | 1.00 |
| ▸ | NR1I2 | O75469 | 1/20 | 1.00 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 1/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 1.00 |
| ▸ | PGR | P06401 | 1/20 | 1.00 |
| ▸ | ABCB1 | P08183 | 1/20 | 1.00 |
| ▸ | HTR1A | P08908 | 1/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Ritonavir SCHEMBL6679 | 1.00 | CYP3A4 (1.00) | CYP3A4CYP2D6CYP2C19CYP2C9MEN1 | |
| Ritonavir SCHEMBL7531251 | 1.00 | CYP3A4 (1.00) | CYP3A4CYP2D6CYP2C19CYP2C9MEN1 | |
| Ritonavir SCHEMBL825767 | 1.00 | CYP3A4 (1.00) | CYP3A4CYP2D6CYP2C19CYP2C9MEN1 | |
| Ritonavir SCHEMBL17787453 | 1.00 | CYP3A4 (1.00) | CYP3A4CYP2D6CYP2C19CYP2C9MEN1 | |
| Ritonavir SCHEMBL24777041 | 1.00 | CYP3A4 (1.00) | CYP3A4CYP2D6CYP2C19CYP2C9MEN1 | |
| Ritonavir SCHEMBL7806137 | 1.00 | CYP3A4 (1.00) | CYP3A4CYP2D6CYP2C19CYP2C9MEN1 | |
| Ritonavir SCHEMBL23927481 | 1.00 | CYP3A4 (1.00) | CYP3A4CYP2D6CYP2C19CYP2C9MEN1 | |
| Ritonavir SCHEMBL20257193 | 1.00 | CYP3A4 (1.00) | CYP3A4CYP2D6CYP2C19CYP2C9MEN1 | |
| Ritonavir SCHEMBL3178401 | 1.00 | CYP3A4 (1.00) | CYP3A4CYP2D6CYP2C19CYP2C9MEN1 | |
| Ritonavir SCHEMBL20322359 | 1.00 | CYP3A4 (1.00) | CYP3A4CYP2D6CYP2C19CYP2C9MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8048663-B2 | Crystal of pregnane X receptor fused to steroid receptor coactivator-1 | SCHERING CORP. (US) | 2011-11-01 | — | — | US | disclosed |
| US-20100286372-A1 | Pregnane X Receptor Compositions, Crystals and Uses Thereof | SCHERING CORPORATION (US) | 2010-11-11 | — | — | US | disclosed |
| US-7785879-B1 | Pregnane X receptor compositions, crystals and uses thereof | SCHERING CORPORATION (US) | 2010-08-31 | — | — | 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-20100286372-A1 | Pregnane X Receptor Compositions, Crystals and Uses Thereof | NR1H3, NR1H4, NR1H2 | CYP3A4 140/4885CYP3A5 83/4885CYP3A7 139/4885 |
“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.