Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 6/20 | 0.53 |
| ▸ | CTSS | P25774 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 2/20 | 0.42 |
| ▸ | CTSB | P07858 | 2/20 | 0.42 |
| ▸ | CTSH | P09668 | 2/20 | 0.42 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.41 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | REN | P00797 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL1864551 | 1.00 | CTSK (0.53) | CTSKCTSSCYP3A4HDAC4HDAC1 | |
| SCHEMBL12632066 | 0.88 | CTSK (0.46) | CTSKCTSSCYP3A4HDAC4HDAC1 | |
| SCHEMBL3599923 | 0.87 | CTSK (0.51) | CTSKCTSSCYP3A4HDAC4HDAC1 | |
| SCHEMBL3599920 | 0.87 | CTSK (0.51) | CTSKCTSSCYP3A4HDAC4HDAC1 | |
| SCHEMBL272474 | 0.87 | CTSK (0.51) | CTSKCTSSCYP3A4HDAC4HDAC1 | |
| SCHEMBL12631585 | 0.85 | CTSK (0.41) | CTSKCTSSCYP3A4HDAC4HDAC1 | |
| SCHEMBL55961 | 0.85 | CTSK (0.56) | CTSKCTSSCYP3A4HDAC4HDAC1 | |
| SCHEMBL1424703 | 0.85 | CTSK (0.56) | CTSKCTSSCYP3A4HDAC4HDAC1 | |
| SCHEMBL8269725 | 0.85 | CTSK (0.56) | CTSKCTSSCYP3A4HDAC4HDAC1 | |
| SCHEMBL57254 | 0.85 | CTSK (0.56) | CTSKCTSSCYP3A4HDAC4HDAC1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8455521-B2 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2013-06-04 | — | — | US | disclosed |
| US-20110105506-A1 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. | 2011-05-05 | — | — | US | disclosed |
| US-7754737-B2 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2010-07-13 | — | — | US | disclosed |
| US-20090018103-A1 | Diaminoalkane Aspartic Protease Inhibitors | VITAE PHARMACEUTICAL, INC (US) | 2009-01-15 | — | — | US | disclosed |
| EP-1807078-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2007-07-18 | — | — | EP | disclosed |
| WO-2006042150-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2006-04-20 | — | — | 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-20110105506-A1 | Diaminoalkane aspartic protease inhibitors | DNPEP, PEPD, ACE | CTSK 31/4885CTSS 138/4885CYP3A4 2361/4885 |
| US-20090018103-A1 | Diaminoalkane Aspartic Protease Inhibitors | DNPEP, PEPD, ACE | CTSK 31/4885CTSS 138/4885CYP3A4 2361/4885 |
“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.