Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | PREP | P48147 | 9/20 | 0.54 |
| ▸ | FAP | Q12884 | 5/20 | 0.54 |
| ▸ | DPP4 | P27487 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.51 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.51 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL12949782 | 1.00 | RAB9A (0.56) | RAB9APREPFAPDPP4ALDH1A1 | |
| SCHEMBL13377307 | 0.85 | PREP (0.51) | PREPFAPDPP4DPP8DPP9 | |
| SCHEMBL8287722 | 0.85 | TAS1R3 (0.50) | PREPFAPDPP4DPP8DPP9 | |
| SCHEMBL8286847 | 0.84 | RAB9A (0.55) | RAB9APREPFAPDPP4ALDH1A1 | |
| SCHEMBL12031356 | 0.84 | PREP (0.50) | PREPFAPDPP4 | |
| SCHEMBL13377363 | 0.84 | PREP (0.58) | PREPFAPDPP4ALDH1A1DPP8 | |
| SCHEMBL13377308 | 0.84 | PREP (0.50) | PREPFAPDPP4DPP8DPP9 | |
| SCHEMBL12031885 | 0.83 | KMT2A (0.58) | RAB9APREPFAPALDH1A1DPP8 | |
| SCHEMBL12949796 | 0.80 | PREP (0.45) | PREPFAPDPP4ALDH1A1DPP8 | |
| SCHEMBL16381895 | 0.80 | USP2 (0.49) | RAB9APREPFAPDPP4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2399915-A1 | Process and intermediates for the preparation of aspartic acetal caspase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-12-28 | — | — | EP | disclosed |