Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 3/20 | 0.50 |
| ▸ | GBA1 | P04062 | 1/20 | 0.48 |
| ▸ | CCR5 | P51681 | 5/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3255060 | 1.00 | RORC (0.50) | RORCGBA1CCR5SIGMAR1DPP4 | |
| SCHEMBL3245752 | 1.00 | RORC (0.50) | RORCGBA1CCR5SIGMAR1DPP4 | |
| SCHEMBL3646955 | 0.93 | RORC (0.48) | RORCGBA1CCR5SIGMAR1DPP4 | |
| SCHEMBL1713828 | 0.90 | GBA1 (0.53) | RORCGBA1CCR5SIGMAR1DPP4 | |
| SCHEMBL1713826 | 0.90 | GBA1 (0.53) | RORCGBA1CCR5SIGMAR1DPP4 | |
| SCHEMBL2784184 | 0.90 | GBA1 (0.53) | RORCGBA1CCR5SIGMAR1DPP4 | |
| SCHEMBL3652048 | 0.89 | CCR5 (0.47) | RORCGBA1CCR5DPP4FUCA1 | |
| SCHEMBL3643152 | 0.89 | CCR5 (0.47) | RORCGBA1CCR5DPP4FUCA1 | |
| SCHEMBL1507371 | 0.89 | RORC (0.47) | RORCGBA1CCR5DPP4FUCA1 | |
| SCHEMBL1507367 | 0.89 | RORC (0.47) | RORCGBA1CCR5DPP4FUCA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2190815-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-06-02 | — | — | EP | disclosed |
| EP-2185540-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-05-19 | — | — | EP | disclosed |
| WO-2009024502-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-26 | — | — | WO | disclosed |
| WO-2009019163-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-12 | — | — | WO | disclosed |