Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 1/20 | 0.50 |
| ▸ | CCR5 | P51681 | 6/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 5/20 | 0.43 |
| ▸ | DRD3 | P35462 | 5/20 | 0.43 |
| ▸ | DRD4 | P21917 | 4/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 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 | |
|---|---|---|---|---|
| SCHEMBL7879098 | 0.90 | RORC (0.52) | RORCCCR5SIGMAR1DRD2DRD3 | |
| SCHEMBL3255060 | 0.88 | RORC (0.50) | RORCCCR5SIGMAR1DPP4SLC6A3 | |
| SCHEMBL3245752 | 0.88 | RORC (0.50) | RORCCCR5SIGMAR1DPP4SLC6A3 | |
| SCHEMBL3245751 | 0.88 | RORC (0.50) | RORCCCR5SIGMAR1DPP4SLC6A3 | |
| SCHEMBL4203694 | 0.88 | RORC (0.50) | RORCCCR5SIGMAR1DRD2DRD3 | |
| SCHEMBL3646955 | 0.85 | RORC (0.48) | RORCCCR5SIGMAR1DPP4SLC6A3 | |
| SCHEMBL3035834 | 0.85 | RORC (0.48) | RORCCCR5SIGMAR1DRD2DRD3 | |
| SCHEMBL1421644 | 0.85 | RORC (0.52) | RORCCCR5SIGMAR1DRD2DRD3 | |
| SCHEMBL1974849 | 0.85 | RORC (0.52) | RORCCCR5SIGMAR1DRD2DRD3 | |
| SCHEMBL1713828 | 0.85 | GBA1 (0.53) | RORCCCR5SIGMAR1DPP4SLC6A3 |
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 |