Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | HTR5A | P47898 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL13685703 | 0.95 | CASP3 (0.40) | CASP3BACE1HTR7HTR5AHTR6 | |
| SCHEMBL8291442 | 0.84 | CASP3 (0.36) | CASP3BACE1ALDH1A1TSHRCYP3A4 | |
| SCHEMBL16349820 | 0.78 | GAA (0.35) | BACE1 | |
| SCHEMBL12856080 | 0.77 | F2 (0.35) | BACE1 | |
| SCHEMBL16349811 | 0.76 | F2 (0.42) | — | |
| SCHEMBL13685693 | 0.72 | F2 (0.37) | BACE1 | |
| SCHEMBL4984571 | 0.70 | CASP3 (0.59) | CASP3CTSLKMT2AL3MBTL1 | |
| SCHEMBL8291443 | 0.70 | F2 (0.43) | — | |
| SCHEMBL4984560 | 0.70 | CASP3 (0.59) | CASP3CTSLKMT2AL3MBTL1 | |
| SCHEMBL16349734 | 0.69 | GAA (0.35) | BACE1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7592419-B2 | Macrocyclic inhibitors of hepatitis C virus NS3-serine protease | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |