Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 1/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CTSD | P07339 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.54 |
| ▸ | CNR1 | P21554 | 1/20 | 0.54 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.51 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.51 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.51 |
| ▸ | KCND3 | Q9UK17 | 1/20 | 0.51 |
| ▸ | SPPL2A | Q8TCT8 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4349846 | 1.00 | MLNR (0.54) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL4356243 | 0.91 | SPPL2A (0.48) | SPPL2AMAOBADAMTS4MMP2MMP13 | |
| SCHEMBL4356237 | 0.91 | SPPL2A (0.48) | SPPL2AMAOBADAMTS4MMP2MMP13 | |
| SCHEMBL4346689 | 0.90 | MLNR (0.60) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL4346692 | 0.90 | MLNR (0.60) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL4349865 | 0.87 | ABCB1 (0.56) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL4349870 | 0.87 | ABCB1 (0.56) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL4351141 | 0.86 | ABCB1 (0.58) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL4351144 | 0.86 | ABCB1 (0.58) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL1094790 | 0.84 | MLNR (0.67) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8455497-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-06-04 | — | — | US | disclosed |
| US-20090274650-A1 | INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED | 2009-11-05 | — | — | US | disclosed |
| EP-1194404-B1 | INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMA (US) | 2006-05-03 | — | — | EP | disclosed |
| US-6878728-B1 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICAL INCORPORATED (US) | 2005-04-12 | — | — | US | disclosed |
| US-20040122000-A1 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED. | 2004-06-24 | — | — | 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 (2 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-20040122000-A1 | Inhibitors of aspartyl protease | SPINT2, DNPEP, PRSS1 | MLNR 4166/4885ABCB11 1940/4885LMNA 4130/4885 |
| US-20090274650-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.