Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL464734 | 0.84 | ABCG2 (0.41) | PTGS1PTGS2CA1CA2CA9 | |
| SCHEMBL464723 | 0.75 | MGAM (0.37) | PTGS1PTGS2CA1CA2CA9 | |
| SCHEMBL464724 | 0.73 | ALDH1A1 (0.39) | PTGS1PTGS2CA1CA2CA9 | |
| SCHEMBL10664550 | 0.72 | ACLY (0.44) | PTGS1PTGS2CA1CA2CA9 | |
| SCHEMBL464731 | 0.72 | MGAM (0.37) | PTGS1PTGS2MAOBNAMPTALDH1A1 | |
| SCHEMBL10522223 | 0.70 | MAOB (0.53) | MAOBHTR2BALDH1A1MAPTMEN1 | |
| SCHEMBL464740 | 0.69 | PTGS2 (0.36) | PTGS1PTGS2CA2CA9TSHR | |
| SCHEMBL464779 | 0.69 | GSK3B (0.42) | PTGS1PTGS2TSHRMAOBNAMPT | |
| SCHEMBL4749803 | 0.69 | MAOB (0.43) | TSHRMAOBNAMPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL464814 | 0.68 | CA12 (0.40) | PTGS1PTGS2CA1CA2CA9 |
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 9 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 |
| EP-1686113-B1 | Inhibitors of aspartyl protease | VERTEX PHARMA (US) | 2011-11-23 | — | — | EP | disclosed |
| US-20090274650-A1 | INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED | 2009-11-05 | — | — | US | disclosed |
| EP-1686113-A1 | Inhibitors of aspartyl protease | Vertex Pharmaceuticals Incorporated (US) | 2006-08-02 | — | — | EP | 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 |
| EP-1194404-A1 | INHIBITORS OF ASPARTYL PROTEASE | Vertex Pharmaceuticals Incorporated (US) | 2002-04-10 | — | — | EP | disclosed |
| WO-2000076961-A1 | INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2000-12-21 | — | — | 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 (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 | PTGS1 2228/4885PTGS2 1822/4885CA1 520/4885 |
| US-20090274650-A1 | INHIBITORS OF ASPARTYL PROTEASE | SPINT2, DNPEP, PRSS1 | PTGS1 2228/4885PTGS2 1822/4885CA1 520/4885 |
“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.