Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.45 |
| ▸ | NQO1 | P15559 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL28781953 | 0.98 | TP53 (0.53) | TP53CYP3A4NOTUMNQO1LTA4H | |
| SCHEMBL23018998 | 0.82 | TP53 (0.53) | TP53CYP3A4NOTUMNQO1LTA4H | |
| 1,3-Diethoxybenzene SCHEMBL1100167 | 0.80 | TP53 (0.71) | TP53CYP3A4NQO1LTA4HMAPK1 | |
| SCHEMBL13626610 | 0.78 | MAOB (0.62) | SMN1; SMN2 | |
| SCHEMBL12464036 | 0.77 | ACHE (0.52) | CYP3A4CYP1A2ALDH1A1SMN1; SMN2 | |
| SCHEMBL9260410 | 0.74 | RXRA (0.66) | TP53CYP3A4NOTUMNQO1LTA4H | |
| SCHEMBL29426410 | 0.74 | RXRA (0.66) | TP53CYP3A4NOTUMNQO1LTA4H | |
| SCHEMBL1204104 | 0.74 | TP53 (0.63) | TP53CYP3A4NOTUMNQO1LTA4H | |
| SCHEMBL9488001 | 0.74 | TP53 (0.63) | TP53CYP3A4NQO1LTA4HMAPK1 | |
| SCHEMBL23583 | 0.73 | TP53 (0.57) | TP53CYP3A4NQO1LTA4HMAPK1 |
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-1481976-B1 | 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO (JP) | 2012-11-07 | — | — | EP | disclosed |