Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | PREP | P48147 | 4/20 | 0.40 |
| ▸ | FAP | Q12884 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.39 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.39 |
| ▸ | RORC | P51449 | 2/20 | 0.39 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8288972 | 0.89 | PREP (0.51) | NPC1PREPFAPDPP4DPP8 | |
| SCHEMBL8288021 | 0.88 | STAT6 (0.41) | PREPFAPHSD11B1RORCCYP1A2 | |
| SCHEMBL14181581 | 0.88 | NPC1 (0.48) | NPC1TAAR1PREPFAPALDH1A1 | |
| SCHEMBL14181473 | 0.86 | HSD11B1 (0.42) | NPC1PREPFAPHSD11B1RORC | |
| SCHEMBL3173952 | 0.86 | CYP3A4 (0.47) | NPC1TAAR1PREPFAPALDH1A1 | |
| SCHEMBL8288902 | 0.85 | TAAR1 (0.49) | NPC1TAAR1PREPFAPALDH1A1 | |
| SCHEMBL8287675 | 0.85 | NPC1 (0.46) | NPC1TAAR1PREPFAPDPP4 | |
| SCHEMBL8288020 | 0.84 | NPC1 (0.46) | NPC1TAAR1PREPFAPALDH1A1 | |
| SCHEMBL12031661 | 0.84 | PSMB5 (0.48) | NPC1TAAR1PREPFAPDPP4 | |
| SCHEMBL8288844 | 0.83 | CASP1 (0.44) | NPC1TAAR1CYP1A2CYP3A4CYP2D6 |
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-2399916-A1 | Process and intermediates for the preparation of aspartic acetal caspase ihnhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-12-28 | — | — | EP | disclosed |
| US-7381827-B2 | 5-Ethoxy-4-(1-(benzyloxycarbonyl)-2-pyrrolidinylcarbonylamino)-5H-furan-2-one; purification by chromatography, selectively crystallization, or dynamic crystallization; useful for preparing caspase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-06-03 | — | — | US | disclosed |
| WO-2005085236-A2 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-09-15 | — | — | WO | disclosed |