Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | COMT | P21964 | 6/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14816318 | 0.87 | EIF2AK3 (0.35) | HDAC4HDAC2HDAC8 | |
| SCHEMBL6900956 | 0.77 | F11 (0.39) | COMTKDM4E | |
| SCHEMBL6901682 | 0.72 | COMT (0.55) | HDAC4HDAC2HDAC8COMT | |
| SCHEMBL6900026 | 0.69 | COMT (0.54) | HDAC4HDAC2HDAC8COMT | |
| SCHEMBL14815910 | 0.68 | COMT (0.39) | COMT | |
| SCHEMBL6900761 | 0.67 | COMT (0.51) | COMT | |
| SCHEMBL6900251 | 0.67 | SCN9A (0.40) | — | |
| SCHEMBL6900936 | 0.67 | COMT (0.48) | COMT | |
| SCHEMBL6900760 | 0.67 | COMT (0.48) | HDAC4HDAC2HDAC8COMT | |
| SCHEMBL2468944 | 0.66 | ROCK2 (0.36) | KDM4ELMNA |
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-2011109254-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME CORP. (US) | 2011-09-09 | — | — | WO | disclosed |