Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PREP | P48147 | 7/20 | 0.49 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.45 |
| ▸ | FAP | Q12884 | 4/20 | 0.45 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.45 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.45 |
| ▸ | DPP4 | P27487 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12949920 | 0.89 | KMT2A (0.53) | PREPP2RX7FAPDPP8DPP9 | |
| SCHEMBL8286843 | 0.89 | PREP (0.44) | PREPFAPDPP8DPP9DPP4 | |
| SCHEMBL8286743 | 0.89 | PREP (0.50) | PREPFAPDPP8DPP9KMT2A | |
| SCHEMBL8288938 | 0.88 | PREP (0.46) | PREPFAPDPP8DPP9DPP4 | |
| SCHEMBL12950061 | 0.88 | PREP (0.49) | PREPFAPDPP8DPP9KMT2A | |
| SCHEMBL12031333 | 0.87 | PREP (0.45) | PREPP2RX7FAPDPP8DPP9 | |
| SCHEMBL12031716 | 0.86 | PREP (0.47) | PREPP2RX7FAPDPP8DPP9 | |
| SCHEMBL8287698 | 0.86 | PREP (0.47) | PREPP2RX7FAPDPP8DPP9 | |
| SCHEMBL12949922 | 0.86 | PREP (0.54) | PREPP2RX7FAPDPP8DPP9 | |
| SCHEMBL8288977 | 0.85 | PREP (0.47) | PREPFAPDPP8DPP9DPP4 |
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-2399915-B1 | Process and intermediates for the preparation of aspartic acetal caspase inhibitors | VERTEX PHARMA (US) | 2014-12-17 | — | — | EP | disclosed |
| EP-2399916-B1 | Process and intermediates for the preparation of aspartic acetal caspase ihnhibitors | VERTEX PHARMA (US) | 2014-12-10 | — | — | 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 |