Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 1/20 | 0.65 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.65 |
| ▸ | CTSD | P07339 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.65 |
| ▸ | CNR1 | P21554 | 1/20 | 0.65 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.65 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL12709595 | 1.00 | MLNR (0.65) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL12709603 | 0.96 | MLNR (0.64) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL1601897 | 0.91 | MLNR (0.64) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL1601895 | 0.91 | MLNR (0.64) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL12709167 | 0.91 | MLNR (0.64) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL1601854 | 0.90 | MLNR (0.63) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL1601851 | 0.90 | MLNR (0.63) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL1602214 | 0.89 | MLNR (0.68) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL12709548 | 0.89 | MLNR (0.68) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL1602211 | 0.89 | MLNR (0.68) | MLNRABCB11LMNACTSDCYP3A4 |
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-7442718-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-10-28 | — | — | US | disclosed |
| US-6617350-B2 | Sulfonamides which are aspartyl protease inhibitors; well suited for inhibiting HIV-1 and HIV-2 protease activity | VERTEX PHARMACEUTICALS INCORPORATED | 2003-09-09 | — | — | US | disclosed |
| US-20020198388-A1 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED | 2002-12-26 | — | — | 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-20020198388-A1 | Inhibitors of aspartyl protease | SPINT2, DNPEP, PRSS1 | MLNR 4166/4885ABCB11 1940/4885LMNA 4130/4885 |
“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.