Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 3/20 | 0.43 |
| ▸ | CTSS | P25774 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | REN | P00797 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1861343 | 1.00 | CTSK (0.43) | CTSKCTSSKMT2AAAK1CYP3A4 | |
| SCHEMBL1866367 | 0.88 | CTSK (0.41) | CTSKCTSSKMT2AAAK1CYP3A4 | |
| SCHEMBL1866366 | 0.88 | CTSK (0.41) | CTSKCTSSKMT2AAAK1CYP3A4 | |
| SCHEMBL13256314 | 0.87 | CTSK (0.41) | CTSKCTSSKMT2AAAK1CYP3A4 | |
| SCHEMBL14923517 | 0.86 | CTSK (0.53) | CTSKCTSSKMT2AAAK1CYP3A4 | |
| SCHEMBL14151833 | 0.86 | CTSK (0.53) | CTSKCTSSKMT2AAAK1CYP3A4 | |
| SCHEMBL13087476 | 0.86 | CTSK (0.53) | CTSKCTSSKMT2AAAK1CYP3A4 | |
| SCHEMBL1859887 | 0.85 | CTSS (0.39) | CTSKCTSSKMT2AAAK1CYP3A4 | |
| SCHEMBL3607246 | 0.85 | CTSS (0.39) | CTSKCTSSKMT2AAAK1CYP3A4 | |
| SCHEMBL3607248 | 0.85 | CTSS (0.39) | CTSKCTSSKMT2AAAK1CYP3A4 |
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-8487108-B2 | Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2013-07-16 | — | — | US | disclosed |
| EP-1966139-B1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS INC (US) | 2011-12-21 | — | — | EP | disclosed |
| US-20100048636-A1 | Aspartic Protease Inhibitors | VITAE PHARMACEUTICALS, INC. | 2010-02-25 | — | — | 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-20100048636-A1 | Aspartic Protease Inhibitors | DNPEP, PEPD, SERPINB1 | CTSK 152/4885CTSS 95/4885KMT2A 2255/4885 |
“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.