Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.37 |
| ▸ | CTSK | P43235 | 2/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | METAP1 | P53582 | 1/20 | 0.32 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ANPEP | P15144 | 2/20 | 0.31 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.30 |
| ▸ | SLC7A5 | Q01650 | 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 | |
|---|---|---|---|---|
| SCHEMBL27575576 | 0.84 | CTSS (0.33) | CTSSCTSKMETAP2METAP1SLC1A3 | |
| SCHEMBL27807016 | 0.78 | CHRM2 (0.33) | CHRM2CHRM1CHRM3 | |
| SCHEMBL27557192 | 0.77 | CTSS (0.40) | CTSSCTSKAAK1METAP2METAP1 | |
| SCHEMBL23325684 | 0.74 | CTSS (0.41) | CTSSCTSKAAK1SLC1A3SLC1A2 | |
| SCHEMBL27550574 | 0.74 | SLC7A5 (0.36) | AAK1SLC1A1KMT2ASLC7A5 | |
| SCHEMBL5195565 | 0.74 | CTSS (0.41) | CTSSCTSKAAK1SLC1A3SLC1A2 | |
| SCHEMBL27893717 | 0.72 | SLC7A5 (0.35) | AAK1KMT2ASLC7A5 | |
| SCHEMBL27859153 | 0.72 | SLC7A5 (0.35) | AAK1KMT2ASLC7A5 | |
| SCHEMBL4934742 | 0.71 | SLC7A5 (0.42) | CTSSCTSKSLC1A3SLC1A2KMT2A | |
| SCHEMBL15619246 | 0.71 | CTSS (0.43) | CTSSCTSKAAK1SLC1A3SLC1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101356156-B | Aspartic protease inhibitors | VITAE PHARMACEUTICALS INC | 2012-12-05 | — | — | CN | disclosed |
| CN-101072561-B | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS INC | 2011-05-11 | — | — | CN | disclosed |
| CN-101356156-A | Aspartic protease inhibitors | VITAE PHARMACEUTICALS INC (US) | 2009-01-28 | — | — | CN | disclosed |
| CN-101072561-A | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS INC (US) | 2007-11-14 | — | — | CN | disclosed |