Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 1/20 | 0.59 |
| ▸ | MC4R | P32245 | 6/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.48 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1344658 | 1.00 | RORC (0.59) | RORCMC4RMEN1KMT2AS1PR1 | |
| SCHEMBL7997778 | 0.92 | RORC (0.61) | RORCS1PR1S1PR5 | |
| SCHEMBL7883236 | 0.92 | RORC (0.61) | RORCS1PR1S1PR5 | |
| SCHEMBL7832811 | 0.92 | RORC (0.61) | RORCS1PR1S1PR5 | |
| SCHEMBL1976054 | 0.89 | RORC (0.62) | RORCMC4RS1PR1S1PR5 | |
| SCHEMBL2778415 | 0.89 | RORC (0.62) | RORCMC4RS1PR1S1PR5 | |
| SCHEMBL3180726 | 0.89 | RORC (0.62) | RORCMC4RS1PR1S1PR5 | |
| SCHEMBL2226168 | 0.89 | RORC (0.62) | RORCMC4RS1PR1S1PR5 | |
| SCHEMBL8210627 | 0.89 | RORC (0.62) | RORCMC4RS1PR1S1PR5 | |
| SCHEMBL3007605 | 0.89 | DRD2 (0.50) | RORCMC4R |
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 5 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-2185540-B1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-07-20 | — | — | 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 |