Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR4 | Q5NUL3 | 5/20 | 0.51 |
| ▸ | GRM5 | P41594 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 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 | |
|---|---|---|---|---|
| SCHEMBL2432363 | 0.75 | FFAR4 (0.51) | FFAR4GRM5LMNATDP1HTT | |
| SCHEMBL6901598 | 0.70 | FFAR4 (0.57) | FFAR4GRM5LMNATDP1HTT | |
| SCHEMBL1720331 | 0.70 | ALDH1A1 (0.59) | FFAR4GRM5LMNATDP1HTT | |
| SCHEMBL4457253 | 0.68 | LMNA (0.56) | FFAR4GRM5LMNATDP1HTT | |
| SCHEMBL1724866 | 0.68 | FFAR4 (1.00) | FFAR4GRM5LMNATDP1HTT | |
| SCHEMBL8804228 | 0.67 | LMNA (0.75) | FFAR4GRM5LMNATDP1HTT | |
| SCHEMBL5104261 | 0.67 | GRM5 (0.60) | FFAR4GRM5LMNATDP1 | |
| SCHEMBL6682430 | 0.66 | GRM5 (0.62) | FFAR4GRM5LMNATDP1 | |
| SCHEMBL22061921 | 0.66 | LMNA (0.87) | FFAR4LMNATDP1HTTALDH1A1 | |
| SCHEMBL13606235 | 0.66 | FFAR4 (0.56) | FFAR4GRM5LMNATDP1HTT |
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-2542076-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | Merck Sharp & Dohme Corp. (US) | 2013-01-09 | — | — | EP | disclosed |
| 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 |