Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 3/20 | 0.49 |
| ▸ | CCR5 | P51681 | 5/20 | 0.48 |
| ▸ | GBA1 | P04062 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 2/20 | 0.41 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 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 | |
|---|---|---|---|---|
| SCHEMBL1439546 | 1.00 | RORC (0.49) | RORCCCR5GBA1SIGMAR1KDM1A | |
| SCHEMBL1507381 | 0.91 | RORC (0.47) | RORCCCR5GBA1FUCA1DRD2 | |
| SCHEMBL3652048 | 0.91 | CCR5 (0.47) | RORCCCR5GBA1FUCA1DRD2 | |
| SCHEMBL1507367 | 0.91 | RORC (0.47) | RORCCCR5GBA1FUCA1DRD2 | |
| SCHEMBL3643152 | 0.91 | CCR5 (0.47) | RORCCCR5GBA1FUCA1DRD2 | |
| SCHEMBL1507371 | 0.91 | RORC (0.47) | RORCCCR5GBA1FUCA1DRD2 | |
| SCHEMBL31412702 | 0.90 | GBA1 (0.52) | RORCCCR5GBA1SIGMAR1KDM1A | |
| SCHEMBL3710432 | 0.90 | CCR5 (0.48) | RORCCCR5SIGMAR1POLBPDK1 | |
| SCHEMBL3715915 | 0.90 | CCR5 (0.48) | RORCCCR5SIGMAR1POLBPDK1 | |
| SCHEMBL3650757 | 0.86 | RORC (0.55) | RORCCCR5GBA1FUCA1DRD2 |
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 |
| WO-2011023626-A1 | PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-03 | — | — | WO | disclosed |
| 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 |