Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 3/20 | 0.55 |
| ▸ | CCR5 | P51681 | 4/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | HTR2B | P41595 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | FUCA1 | P04066 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1985308 | 1.00 | RORC (0.55) | RORCCCR5DRD2DRD3DRD4 | |
| SCHEMBL1202337 | 0.89 | RORC (0.58) | RORCCCR5DRD2DRD3BCHE | |
| SCHEMBL1976472 | 0.89 | RORC (0.58) | RORCCCR5DRD2DRD3BCHE | |
| SCHEMBL2226943 | 0.89 | RORC (0.58) | RORCCCR5DRD2DRD3BCHE | |
| SCHEMBL3650757 | 0.87 | RORC (0.55) | RORCCCR5DRD2DRD3DRD4 | |
| SCHEMBL2820735 | 0.84 | RORC (0.58) | RORCCCR5DRD2DRD3BCHE | |
| SCHEMBL2820737 | 0.84 | RORC (0.58) | RORCCCR5DRD2DRD3BCHE | |
| SCHEMBL4203694 | 0.82 | RORC (0.50) | RORCCCR5DRD2DRD3SLC6A2 | |
| SCHEMBL1203616 | 0.81 | DPP4 (0.54) | RORCCCR5DRD2DRD3DRD4 | |
| SCHEMBL1203614 | 0.81 | DPP4 (0.54) | RORCCCR5DRD2DRD3DRD4 |
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-2513084-A1 | PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011073160-A1 | PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-23 | — | — | WO | disclosed |