Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | PREP | P48147 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL714622 | 0.91 | NPC1 (0.46) | NPC1PREP | |
| SCHEMBL12949802 | 0.90 | PREP (0.43) | HCRTR1PREPDRD4UTS2RDRD2 | |
| SCHEMBL12949918 | 0.88 | CCR1 (0.46) | CCR1PREP | |
| SCHEMBL8287915 | 0.88 | CCR1 (0.46) | CCR1NPC1HCRTR1PREP | |
| SCHEMBL14181582 | 0.87 | STAT6 (0.42) | CCR1HCRTR1DRD4UTS2RDRD2 | |
| SCHEMBL12950161 | 0.87 | CCR1 (0.45) | CCR1PREP | |
| SCHEMBL14181468 | 0.87 | CCR1 (0.49) | CCR1NPC1PREPUTS2R | |
| SCHEMBL12949799 | 0.86 | PREP (0.44) | HCRTR1PREPDRD4UTS2RDRD2 | |
| SCHEMBL3174391 | 0.86 | KMT2A (0.49) | CCR1NPC1 | |
| SCHEMBL8286754 | 0.86 | TAAR1 (0.45) | CCR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2399915-A1 | Process and intermediates for the preparation of aspartic acetal caspase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-12-28 | — | — | EP | disclosed |
| EP-2270004-A1 | Caspase inhibitors and uses thereof | Vertex Pharmceuticals Incorporated (US) | 2011-01-05 | — | — | EP | disclosed |
| WO-2005085236-A2 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-09-15 | — | — | WO | disclosed |