Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 3/20 | 0.51 |
| ▸ | ACHE | P22303 | 3/20 | 0.51 |
| ▸ | BACE1 | P56817 | 3/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.39 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2822835 | 1.00 | BCHE (0.51) | BCHEACHEBACE1SIGMAR1MCHR1 | |
| SCHEMBL2820908 | 0.94 | BCHE (0.50) | BCHEACHEBACE1SIGMAR1TP53 | |
| SCHEMBL3976177 | 0.94 | BCHE (0.49) | BCHEACHEBACE1SIGMAR1TP53 | |
| SCHEMBL2817643 | 0.92 | BCHE (0.56) | BCHEACHEBACE1SIGMAR1MCHR1 | |
| SCHEMBL3637560 | 0.92 | BCHE (0.56) | BCHEACHEBACE1SIGMAR1MCHR1 | |
| SCHEMBL2820967 | 0.91 | BCHE (0.53) | BCHEACHEBACE1SIGMAR1MCHR1 | |
| SCHEMBL2818844 | 0.91 | BCHE (0.55) | BCHEACHEBACE1SIGMAR1MCHR1 | |
| SCHEMBL3641460 | 0.91 | BCHE (0.55) | BCHEACHEBACE1SIGMAR1MCHR1 | |
| SCHEMBL2820994 | 0.89 | BCHE (0.52) | BCHEACHEBACE1SIGMAR1MCHR1 | |
| SCHEMBL3640263 | 0.89 | BCHE (0.52) | BCHEACHEBACE1SIGMAR1MCHR1 |
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-2155672-A1 | PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008148689-A1 | PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-12-11 | — | — | WO | disclosed |