Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PREP | P48147 | 6/20 | 0.50 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | FAP | Q12884 | 2/20 | 0.45 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.45 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | PPIB | P23284 | 1/20 | 0.42 |
| ▸ | PPID | Q08752 | 1/20 | 0.42 |
| ▸ | PPIG | Q13427 | 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 | 0.90 | KMT2A (0.53) | PREPFAPDPP8DPP9KMT2A | |
| SCHEMBL12950061 | 0.89 | PREP (0.49) | PREPFAPDPP8DPP9KMT2A | |
| SCHEMBL8288969 | 0.89 | PREP (0.49) | PREPFAPDPP8DPP9KMT2A | |
| SCHEMBL8287708 | 0.85 | PREP (0.47) | PREPFAPDPP8DPP9 | |
| SCHEMBL12949802 | 0.82 | PREP (0.43) | PREPHCRTR1DRD4FAPDRD2 | |
| SCHEMBL8288913 | 0.82 | PREP (0.50) | PREPFAPDPP8DPP9DRD2 | |
| SCHEMBL8287698 | 0.81 | PREP (0.47) | PREPFAPDPP8DPP9 | |
| SCHEMBL8288957 | 0.81 | CCR1 (0.44) | PREPHCRTR1DRD4DRD2 | |
| SCHEMBL12949799 | 0.81 | PREP (0.44) | PREPHCRTR1DRD4FAPKMT2A | |
| SCHEMBL14181582 | 0.80 | STAT6 (0.42) | HCRTR1DRD4DRD2 |
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 |