Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 3/20 | 0.55 |
| ▸ | CCR5 | P51681 | 3/20 | 0.50 |
| ▸ | GBA1 | P04062 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 3/20 | 0.43 |
| ▸ | BACE1 | P56817 | 3/20 | 0.43 |
| ▸ | BCHE | P06276 | 2/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7829849 | 0.90 | CCR5 (0.59) | RORCCCR5GBA1FUCA1 | |
| SCHEMBL12303453 | 0.90 | CCR5 (0.59) | RORCCCR5GBA1FUCA1 | |
| SCHEMBL27989206 | 0.89 | RORC (0.58) | RORCCCR5GBA1DRD2DRD3 | |
| SCHEMBL2820735 | 0.89 | RORC (0.58) | RORCCCR5GBA1DRD2DRD3 | |
| SCHEMBL2820737 | 0.89 | RORC (0.58) | RORCCCR5GBA1DRD2DRD3 | |
| SCHEMBL1440408 | 0.88 | RORC (0.56) | RORCCCR5GBA1DRD2DRD3 | |
| SCHEMBL1439676 | 0.88 | RORC (0.56) | RORCCCR5GBA1DRD2DRD3 | |
| SCHEMBL1443542 | 0.88 | RORC (0.56) | RORCCCR5GBA1DRD2DRD3 | |
| SCHEMBL2017141 | 0.87 | RORC (0.55) | RORCCCR5GBA1DRD2DRD3 | |
| SCHEMBL1985308 | 0.87 | RORC (0.55) | RORCCCR5GBA1DRD2DRD3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2185540-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-05-19 | — | — | EP | disclosed |
| WO-2009019163-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-12 | — | — | WO | disclosed |