Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | CCR1 | P32246 | 7/20 | 0.47 |
| ▸ | PREP | P48147 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | FAP | Q12884 | 1/20 | 0.41 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14181580 | 0.92 | TAS1R3 (0.46) | TAAR1CCR1PREPNPC1P2RX7 | |
| SCHEMBL14181468 | 0.91 | CCR1 (0.49) | TAAR1CCR1PREPNPC1ACE2 | |
| SCHEMBL14181581 | 0.88 | NPC1 (0.48) | TAAR1CCR1PREPNPC1ALDH1A1 | |
| SCHEMBL12031661 | 0.88 | PSMB5 (0.48) | TAAR1CCR1PREPNPC1KCNH2 | |
| SCHEMBL12031884 | 0.86 | CCR1 (0.47) | CCR1PREPALDH1A1P2RX7HSD11B1 | |
| SCHEMBL714622 | 0.86 | NPC1 (0.46) | PREPNPC1ALDH1A1ACE2 | |
| SCHEMBL8288981 | 0.85 | NPC1 (0.45) | TAAR1PREPNPC1ALDH1A1ACE2 | |
| SCHEMBL8287675 | 0.85 | NPC1 (0.46) | TAAR1CCR1PREPNPC1ACE2 | |
| SCHEMBL8288020 | 0.84 | NPC1 (0.46) | TAAR1PREPNPC1ALDH1A1P2RX7 | |
| SCHEMBL3171830 | 0.84 | MEN1 (0.55) | TAAR1CCR1ACE2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2399916-A1 | Process and intermediates for the preparation of aspartic acetal caspase ihnhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-12-28 | — | — | EP | disclosed |
| 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 |