Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHCY | P23526 | 3/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | TSPO | P30536 | 1/20 | 0.37 |
| ▸ | PTGES | O14684 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5205945 | 0.88 | TSPO (0.39) | TSPOPTGESALOX5FFAR1NPSR1 | |
| SCHEMBL5201617 | 0.87 | HDAC1 (0.44) | PPARGPPARDPPARAHDAC1TSPO | |
| SCHEMBL5205558 | 0.85 | HDAC1 (0.42) | PPARGPPARDPPARAHDAC1TSPO | |
| SCHEMBL5204846 | 0.85 | HDAC1 (0.42) | PPARGPPARDPPARAHDAC1TSPO | |
| SCHEMBL5207637 | 0.84 | HDAC1 (0.44) | PPARGPPARDPPARAHDAC1TSPO | |
| SCHEMBL5205723 | 0.84 | HDAC1 (0.41) | PPARGPPARDPPARAHDAC1TSPO | |
| SCHEMBL5205540 | 0.83 | P2RX4 (0.37) | AHCYPPARGPPARDPPARAHDAC1 | |
| SCHEMBL5201675 | 0.83 | PPARG (0.40) | PPARGPPARDPPARAHDAC1TSPO | |
| SCHEMBL5205929 | 0.82 | PPARG (0.40) | PPARGPPARDPPARAHDAC1TSPO | |
| SCHEMBL5207965 | 0.82 | PPARG (0.40) | PPARGPPARDPPARAHDAC1TSPO |
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 |