Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5509805 | 1.00 | USP2 (0.34) | USP2SLCO1B1NOS3NOS1NOS2 | |
| SCHEMBL3601315 | 0.78 | SLC7A5 (0.45) | SLC1A1 | |
| SCHEMBL3601318 | 0.78 | SLC7A5 (0.45) | SLC1A1 | |
| SCHEMBL6498330 | 0.77 | DPP4 (0.33) | DPP4 | |
| SCHEMBL3600518 | 0.76 | — | — | |
| SCHEMBL27748742 | 0.76 | — | — | |
| SCHEMBL1063255 | 0.74 | LMNA (0.36) | HPGD | |
| SCHEMBL18983137 | 0.72 | MEN1 (0.31) | — | |
| SCHEMBL1024449 | 0.72 | MEN1 (0.31) | — | |
| SCHEMBL334391 | 0.72 | — | — |
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 |