Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 5/20 | 0.54 |
| ▸ | ACHE | P22303 | 5/20 | 0.54 |
| ▸ | BACE1 | P56817 | 5/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | CCR5 | P51681 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14641809 | 0.81 | BCHE (0.56) | BCHEACHEBACE1MEN1KMT2A | |
| SCHEMBL2187482 | 0.78 | FUCA1 (0.53) | BCHEACHEBACE1ALDH1A1 | |
| SCHEMBL2187469 | 0.78 | FUCA1 (0.53) | BCHEACHEBACE1ALDH1A1 | |
| SCHEMBL1203069 | 0.78 | RORC (0.48) | BCHEACHEBACE1MEN1KMT2A | |
| SCHEMBL1975962 | 0.78 | RORC (0.48) | BCHEACHEBACE1MEN1KMT2A | |
| SCHEMBL2187476 | 0.78 | FUCA1 (0.53) | BCHEACHEBACE1ALDH1A1 | |
| SCHEMBL1421529 | 0.78 | RORC (0.48) | BCHEACHEBACE1MEN1KMT2A | |
| SCHEMBL1985307 | 0.78 | BCHE (0.46) | BCHEACHEBACE1KDM1AMAOB | |
| SCHEMBL1990966 | 0.76 | BCHE (0.48) | BCHEACHEBACE1MEN1KMT2A | |
| SCHEMBL2011412 | 0.76 | BCHE (0.48) | BCHEACHEBACE1MEN1KMT2A |
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-2391615-A1 | Piperidine derivatives as nk3 receptor antagonists | F. Hoffmann-La Roche AG (CH) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010086259-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-08-05 | — | — | WO | disclosed |