Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 8/20 | 0.44 |
| ▸ | CTSS | P25774 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 3/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 2/20 | 0.35 |
| ▸ | APLNR | P35414 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27709512 | 0.84 | CTSK (0.55) | CTSKCTSSKMT2ACA1CA2 | |
| SCHEMBL27709374 | 0.83 | CTSK (0.57) | CTSKCTSSKMT2ACA1CA2 | |
| SCHEMBL10510504 | 0.83 | CTSK (0.57) | CTSKCTSSKMT2ACA1CA2 | |
| SCHEMBL27032763 | 0.83 | CTSS (0.55) | CTSKCTSSKMT2ACA1CA2 | |
| SCHEMBL22143939 | 0.83 | CTSS (0.55) | CTSKCTSSKMT2ACA1CA2 | |
| SCHEMBL1862037 | 0.83 | CTSK (0.52) | CTSKCTSSKMT2ACA1CA2 | |
| SCHEMBL1865019 | 0.83 | CTSK (0.43) | CTSKCTSSKMT2ACA1CA2 | |
| SCHEMBL1865017 | 0.83 | CTSK (0.43) | CTSKCTSSKMT2ACA1CA2 | |
| SCHEMBL1862035 | 0.83 | CTSK (0.52) | CTSKCTSSKMT2ACA1CA2 | |
| SCHEMBL1859232 | 0.81 | CTSK (0.42) | CTSKCTSSKMT2ACA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101072561-B | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS INC | 2011-05-11 | — | — | CN | disclosed |
| CN-101072561-A | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS INC (US) | 2007-11-14 | — | — | CN | disclosed |