Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 6/20 | 0.55 |
| ▸ | ACE | P12821 | 2/20 | 0.45 |
| ▸ | STAT6 | P42226 | 4/20 | 0.45 |
| ▸ | ELANE | P08246 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CCR8 | P51685 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8289016 | 0.90 | CCR1 (0.49) | CCR1ACESTAT6ELANE | |
| SCHEMBL12031884 | 0.88 | CCR1 (0.47) | CCR1STAT6ELANE | |
| SCHEMBL12949865 | 0.86 | CCR1 (0.41) | CCR1STAT6ELANECHRM2 | |
| SCHEMBL8286865 | 0.85 | CCR1 (0.46) | CCR1STAT6ELANERAB9A | |
| SCHEMBL14181582 | 0.85 | STAT6 (0.42) | CCR1STAT6ELANE | |
| SCHEMBL3183987 | 0.84 | ACE (0.57) | CCR1ACESTAT6ELANE | |
| SCHEMBL12031887 | 0.84 | CCR1 (0.43) | CCR1STAT6ELANE | |
| SCHEMBL8288841 | 0.84 | CCR1 (0.43) | CCR1STAT6ELANE | |
| SCHEMBL12031332 | 0.83 | CCR1 (0.49) | CCR1ACESTAT6ELANENPC1 | |
| SCHEMBL12031752 | 0.83 | STAT6 (0.43) | CCR1STAT6ELANENPC1 |
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 |