Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 7/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | KRAS | P01116 | 3/20 | 0.34 |
| ▸ | RORC | P51449 | 3/20 | 0.34 |
| ▸ | BTK | Q06187 | 3/20 | 0.33 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.33 |
| ▸ | TEAD3 | Q99594 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4105648 | 0.76 | CCR5 (0.40) | CCR5ACHEKRASRORC | |
| SCHEMBL4758705 | 0.76 | CCR5 (0.39) | CCR5ACHEKRASRORCTEAD1 | |
| SCHEMBL4758708 | 0.75 | SSTR4 (0.41) | CCR5 | |
| SCHEMBL3573544 | 0.71 | AOC3 (0.33) | CCR5 | |
| SCHEMBL11566786 | 0.71 | AOC3 (0.46) | ALDH1A1 | |
| SCHEMBL4108113 | 0.69 | CCR5 (0.42) | CCR5RORC | |
| SCHEMBL4108109 | 0.69 | CCR5 (0.42) | CCR5RORC | |
| SCHEMBL7187735 | 0.67 | HPGD (0.52) | ALDH1A1 | |
| SCHEMBL8038236 | 0.66 | AOC3 (0.40) | — | |
| SCHEMBL11567917 | 0.66 | KDM4E (0.49) | ALDH1A1 |
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-1882684-A1 | PYRROLIDINE DERIVATIVE OR SALT THEREOF | Astellas Pharma Inc. (JP) | 2008-01-30 | — | — | EP | disclosed |