Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 13/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL3744181 | 1.00 | HSD11B1 (0.44) | HSD11B1MEN1KMT2ACCR2PTGS2 | |
| N-Benzylmethylamine SCHEMBL2477939 | 0.84 | SLC6A4 (0.44) | CYP3A4MAOB | |
| SCHEMBL6023093 | 0.84 | SLC6A2 (0.49) | — | |
| SCHEMBL13835677 | 0.84 | SLC6A2 (0.49) | — | |
| SCHEMBL3745740 | 0.84 | SLC6A2 (0.49) | — | |
| SCHEMBL5789157 | 0.83 | TMEM97 (0.42) | HSD11B1 | |
| SCHEMBL3742011 | 0.83 | TMEM97 (0.42) | HSD11B1 | |
| SCHEMBL3743997 | 0.83 | CCR2 (0.43) | CCR2APPCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6023197 | 0.83 | CCR2 (0.43) | CCR2APPCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5788833 | 0.81 | SIGMAR1 (0.46) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005016884-A9 | CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | LUNDBECK & CO AS H (DK) | 2006-03-16 | — | — | WO | disclosed |