Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 4/20 | 0.42 |
| ▸ | PPARG | P37231 | 3/20 | 0.42 |
| ▸ | PPARD | Q03181 | 3/20 | 0.42 |
| ▸ | PTGES | O14684 | 3/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.41 |
| ▸ | TSPO | P30536 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.37 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | PRKX | P51817 | 1/20 | 0.35 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5201617 | 0.93 | HDAC1 (0.44) | HDAC1PPARAPPARGPPARDPTGES | |
| SCHEMBL5208785 | 0.92 | PPARG (0.41) | HDAC1PPARAPPARGPPARDPTGES | |
| SCHEMBL5205558 | 0.91 | HDAC1 (0.42) | HDAC1PPARAPPARGPPARDPTGES | |
| SCHEMBL5204846 | 0.91 | HDAC1 (0.42) | HDAC1PPARAPPARGPPARDPTGES | |
| SCHEMBL5205723 | 0.90 | HDAC1 (0.41) | HDAC1PPARAPPARGPPARDPTGES | |
| SCHEMBL5201675 | 0.87 | PPARG (0.40) | HDAC1PPARAPPARGPPARDPTGES | |
| SCHEMBL5207965 | 0.86 | PPARG (0.40) | HDAC1PPARAPPARGPPARDPTGES | |
| SCHEMBL5205929 | 0.86 | PPARG (0.40) | HDAC1PPARAPPARGPPARDPTGES | |
| SCHEMBL5208601 | 0.85 | PPARG (0.39) | HDAC1PPARAPPARGPPARDPTGES | |
| SCHEMBL5204553 | 0.85 | NPC1 (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7160887-B1 | Aromatic amine derivatives, their production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-01-09 | — | — | US | disclosed |
| EP-1123918-B1 | AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME | TAKEDA PHARMACEUTICAL (JP) | 2005-03-09 | — | — | EP | disclosed |
| EP-1123918-A1 | AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME | Takeda Chemical Industries, Ltd. (JP) | 2001-08-16 | — | — | EP | disclosed |