Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 6/20 | 0.56 |
| ▸ | CTSB | P07858 | 5/20 | 0.54 |
| ▸ | ACE | P12821 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL2266848 | 0.87 | CAPN1 (0.58) | CAPN1CTSBACE | |
| SCHEMBL2269431 | 0.87 | CAPN1 (0.58) | CAPN1CTSBACE | |
| SCHEMBL5563236 | 0.87 | CAPN1 (0.58) | CAPN1CTSBACE | |
| SCHEMBL10045690 | 0.87 | CAPN1 (0.58) | CAPN1CTSBACE | |
| SCHEMBL3292711 | 0.83 | CAPN1 (0.61) | CAPN1CTSBACE | |
| SCHEMBL2369340 | 0.83 | CAPN1 (0.61) | CAPN1CTSBACE | |
| SCHEMBL17865652 | 0.83 | CAPN1 (0.61) | CAPN1CTSBACE | |
| SCHEMBL24534164 | 0.81 | CTSK (0.58) | CAPN1CTSB | |
| SCHEMBL8918730 | 0.81 | CTSK (0.58) | CAPN1CTSB | |
| SCHEMBL16153848 | 0.81 | CTSB (0.57) | CAPN1CTSBACE |
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-2368877-A1 | Chiral intermediates for the preparation of peptidomimetic protease inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-28 | — | — | EP | disclosed |