Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.45 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.45 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.45 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.45 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.45 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.45 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CTSA | P10619 | 2/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| 3,3-Diphenylpropanoic Acid SCHEMBL8911668 | 0.87 | CYP2D6 (0.49) | BRD4ATML3MBTL1KDM4ECACNA1G | |
| SCHEMBL9152199 | 0.81 | CTSA (0.52) | BRD4ATML3MBTL1GABBR2GABBR1 | |
| SCHEMBL9155517 | 0.79 | CACNA2D1 (0.55) | BRD4CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL29883209 | 0.79 | CACNA2D1 (0.55) | BRD4CACNA2D1CACNA1BCACNB1CACNA1C | |
| 3,3-Diphenylpropanoic Acid SCHEMBL5283373 | 0.78 | GABBR2 (0.59) | CACNA2D1CACNA1BCACNB1CACNA1CGABBR2 | |
| 3,3-Diphenylpropanoic Acid SCHEMBL66473 | 0.78 | GABBR2 (0.59) | CACNA2D1CACNA1BCACNB1CACNA1CGABBR2 | |
| 3,3-Diphenylpropanoic Acid SCHEMBL20981393 | 0.77 | FFAR1 (0.59) | KDM4EGABBR2GABBR1FFAR1CYP2C19 | |
| SCHEMBL6204059 | 0.77 | BRD4 (0.50) | BRD4ATML3MBTL1CACNA1GCACNA2D1 | |
| SCHEMBL29174143 | 0.77 | BRD4 (0.50) | BRD4ATML3MBTL1GABBR2GABBR1 | |
| SCHEMBL9700450 | 0.77 | BRD4 (0.47) | BRD4ATML3MBTL1GABBR2GABBR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0593557-B1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME (GB) | 1996-01-31 | — | — | EP | disclosed |