Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.48 |
| ▸ | BACE1 | P56817 | 2/20 | 0.48 |
| ▸ | KDM1A | O60341 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | RORC | P51449 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CCR5 | P51681 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1990966 | 1.00 | BCHE (0.48) | BCHEACHEBACE1KDM1AMEN1 | |
| SCHEMBL1421529 | 0.84 | RORC (0.48) | BCHEACHEBACE1KDM1AMEN1 | |
| SCHEMBL1975962 | 0.84 | RORC (0.48) | BCHEACHEBACE1KDM1AMEN1 | |
| SCHEMBL1203069 | 0.84 | RORC (0.48) | BCHEACHEBACE1KDM1AMEN1 | |
| SCHEMBL1977236 | 0.77 | RORC (0.46) | RORCSIGMAR1 | |
| SCHEMBL2225981 | 0.77 | RORC (0.46) | RORCSIGMAR1 | |
| SCHEMBL6903904 | 0.76 | SIGMAR1 (0.51) | BCHEACHEBACE1MEN1KMT2A | |
| SCHEMBL1974918 | 0.76 | DPP4 (0.67) | BCHEACHEBACE1KDM1AMEN1 | |
| SCHEMBL1202764 | 0.76 | DPP4 (0.67) | BCHEACHEBACE1KDM1AMEN1 | |
| SCHEMBL1202760 | 0.76 | DPP4 (0.67) | BCHEACHEBACE1KDM1AMEN1 |
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 |