Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 3/20 | 0.47 |
| ▸ | KDM1A | O60341 | 3/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | BACE1 | P56817 | 2/20 | 0.45 |
| ▸ | CCR5 | P51681 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | FUCA1 | P04066 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1976473 | 1.00 | RORC (0.47) | RORCKDM1ADRD2DRD3BCHE | |
| SCHEMBL1202339 | 1.00 | RORC (0.47) | RORCKDM1ADRD2DRD3BCHE | |
| SCHEMBL13229948 | 0.90 | KDM1A (0.55) | RORCKDM1ADRD2DRD3CCR5 | |
| SCHEMBL1202493 | 0.90 | KDM1A (0.55) | RORCKDM1ADRD2DRD3CCR5 | |
| SCHEMBL2417901 | 0.90 | KDM1A (0.55) | RORCKDM1ADRD2DRD3CCR5 | |
| SCHEMBL1203069 | 0.88 | RORC (0.48) | RORCKDM1ADRD2DRD3BCHE | |
| SCHEMBL1421529 | 0.88 | RORC (0.48) | RORCKDM1ADRD2DRD3BCHE | |
| SCHEMBL1975962 | 0.88 | RORC (0.48) | RORCKDM1ADRD2DRD3BCHE | |
| SCHEMBL1985307 | 0.87 | BCHE (0.46) | RORCKDM1ADRD2DRD3BCHE | |
| SCHEMBL2413984 | 0.84 | DPP4 (0.41) | RORCKDM1ADRD2DRD3CCR5 |
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-2513052-A1 | PYRROLIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011085886-A1 | PYRROLIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-07-21 | — | — | WO | disclosed |
| EP-2148857-A1 | PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-02-03 | — | — | EP | disclosed |
| WO-2008128891-A1 | PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-30 | — | — | WO | disclosed |