Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 7/20 | 0.76 |
| ▸ | CTSK | P43235 | 7/20 | 0.76 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.51 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | CPB2 | Q96IY4 | 3/20 | 0.47 |
| ▸ | REN | P00797 | 2/20 | 0.43 |
| ▸ | CTSL | P07711 | 2/20 | 0.43 |
| ▸ | CTSB | P07858 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.42 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3615254 | 1.00 | CTSS (0.76) | CTSSCTSKAAK1CAPN1HDAC4 | |
| SCHEMBL1861303 | 0.88 | CTSK (0.69) | CTSSCTSKAAK1CAPN1HDAC4 | |
| SCHEMBL1861306 | 0.88 | CTSK (0.69) | CTSSCTSKAAK1CAPN1HDAC4 | |
| SCHEMBL28982692 | 0.87 | CTSS (0.72) | CTSSCTSKAAK1HDAC4HDAC1 | |
| SCHEMBL30172531 | 0.87 | CTSS (0.76) | CTSSCTSKAAK1HDAC4HDAC1 | |
| SCHEMBL28982690 | 0.87 | CTSS (0.72) | CTSSCTSKAAK1HDAC4HDAC1 | |
| SCHEMBL3819122 | 0.87 | CTSS (0.72) | CTSSCTSKAAK1HDAC4HDAC1 | |
| SCHEMBL482062 | 0.86 | CTSK (0.70) | CTSSCTSKAAK1HDAC4HDAC1 | |
| SCHEMBL8283416 | 0.86 | CTSK (0.70) | CTSSCTSKAAK1HDAC4HDAC1 | |
| SCHEMBL21427220 | 0.86 | CTSK (0.70) | CTSSCTSKAAK1HDAC4HDAC1 |
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-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 |
| EP-1966139-A1 | ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | 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 (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 | CTSS 95/4885CTSK 152/4885AAK1 2635/4885 |
“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.