Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 3/20 | 0.56 |
| ▸ | GBA1 | P04062 | 1/20 | 0.51 |
| ▸ | CCR5 | P51681 | 2/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.45 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1440408 | 1.00 | RORC (0.56) | RORCGBA1CCR5SIGMAR1DPP4 | |
| SCHEMBL1439676 | 1.00 | RORC (0.56) | RORCGBA1CCR5SIGMAR1DPP4 | |
| SCHEMBL12303453 | 0.92 | CCR5 (0.59) | RORCGBA1CCR5FUCA1 | |
| SCHEMBL7829849 | 0.92 | CCR5 (0.59) | RORCGBA1CCR5FUCA1 | |
| SCHEMBL2781601 | 0.89 | RORC (0.59) | RORCGBA1CCR5SIGMAR1DPP4 | |
| SCHEMBL14921522 | 0.89 | RORC (0.59) | RORCGBA1CCR5SIGMAR1DPP4 | |
| SCHEMBL2780932 | 0.89 | RORC (0.59) | RORCGBA1CCR5SIGMAR1DPP4 | |
| SCHEMBL2780934 | 0.89 | RORC (0.59) | RORCGBA1CCR5SIGMAR1DPP4 | |
| SCHEMBL3712747 | 0.88 | CCR5 (0.51) | RORCCCR5SIGMAR1DRD2MEN1 | |
| SCHEMBL3712894 | 0.88 | CCR5 (0.51) | RORCCCR5SIGMAR1DRD2MEN1 |
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-2470524-A1 | PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-07-04 | — | — | EP | disclosed |
| EP-2294063-A1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2011-03-16 | — | — | EP | disclosed |
| WO-2011023626-A1 | PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-03 | — | — | WO | disclosed |
| WO-2009150110-A1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-17 | — | — | WO | disclosed |