Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 19/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.69 |
| ▸ | MEN1 | O00255 | 1/20 | 0.69 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.69 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.69 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.69 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.69 |
| ▸ | MLNR | O43193 | 1/20 | 0.69 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.69 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.69 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.69 |
| ▸ | PGR | P06401 | 1/20 | 0.69 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.69 |
| ▸ | HTR1A | P08908 | 1/20 | 0.69 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.69 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.69 |
| ▸ | MAPT | P10636 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL13749205 | 1.00 | CYP3A4 (0.69) | CYP3A4CYP2D6CYP2C9CYP2C19MEN1 | |
| SCHEMBL7302347 | 0.91 | CA2 (0.60) | CYP3A4CYP2D6CYP2C9CYP2C19MEN1 | |
| SCHEMBL8269408 | 0.91 | CYP3A4 (0.77) | CYP3A4CYP2D6CYP2C9CYP2C19MEN1 | |
| SCHEMBL2913540 | 0.91 | CYP3A4 (0.77) | CYP3A4CYP2D6CYP2C9CYP2C19MEN1 | |
| SCHEMBL3304792 | 0.89 | CYP3A4 (0.75) | CYP3A4CYP2D6CYP2C9CYP2C19MEN1 | |
| SCHEMBL794553 | 0.89 | CYP3A4 (0.75) | CYP3A4CYP2D6CYP2C9CYP2C19MEN1 | |
| SCHEMBL3716311 | 0.89 | CYP3A4 (0.75) | CYP3A4CYP2D6CYP2C9CYP2C19MEN1 | |
| SCHEMBL2736323 | 0.89 | CYP3A4 (0.72) | CYP3A4CYP2D6CYP2C9CYP2C19MEN1 | |
| SCHEMBL2736324 | 0.88 | CYP3A4 (0.77) | CYP3A4CYP2D6CYP2C9CYP2C19MEN1 | |
| SCHEMBL13240262 | 0.87 | CYP3A4 (0.69) | CYP3A4CYP2D6CYP2C9CYP2C19MEN1 |
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-8501792-B2 | Treating cancer with desthiazolyl ritonavir | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2013-08-06 | — | — | US | disclosed |
| US-20120329841-A1 | TREATING CANCER WITH DESTHIAZOLYL RITONAVIR | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2012-12-27 | — | — | US | disclosed |
| WO-2009105430-A1 | TREATING CANCER WITH DESTHIAZOLYL RITONAVIR | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2009-08-27 | — | — | WO | 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-20120329841-A1 | TREATING CANCER WITH DESTHIAZOLYL RITONAVIR | DUT, DHCR7, BRCA1 | CYP3A4 21/4885CYP2D6 35/4885CYP2C9 67/4885 |
“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.