Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 6/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | SCD | O00767 | 1/20 | 0.39 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.39 |
| ▸ | LDHA | P00338 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | EIF4A3 | P38919 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1097417 | 0.94 | ABCB1 (0.46) | ABCB1ABCG2P2RX7GRM5SCD | |
| SCHEMBL1097647 | 0.90 | P2RX7 (0.45) | ABCB1ABCG2P2RX7GRM5GSK3B | |
| SCHEMBL16409325 | 0.70 | P2RX7 (0.48) | ABCG2P2RX7MEN1KMT2AMAOA | |
| SCHEMBL16401753 | 0.69 | NR3C2 (0.41) | P2RX7ALDH1A1 | |
| SCHEMBL3341365 | 0.68 | P2RX7 (0.52) | P2RX7MEN1KMT2AALDH1A1 | |
| SCHEMBL3343887 | 0.68 | P2RX7 (0.52) | P2RX7MEN1KMT2AALDH1A1 | |
| SCHEMBL31480207 | 0.67 | L3MBTL1 (0.43) | P2RX7FFAR2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3347125 | 0.66 | RIPK1 (0.47) | P2RX7ALDH1A1MAOAMAOB | |
| SCHEMBL3347134 | 0.66 | RIPK1 (0.47) | P2RX7ALDH1A1MAOAMAOB | |
| SCHEMBL4349642 | 0.66 | P2RX7 (0.53) | P2RX7ALDH1A1 |
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-2382192-A2 | DIHYDROPYRIDONE AMIDES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES | F. Hoffmann-La Roche AG (CH) | 2011-11-02 | — | — | EP | disclosed |
| WO-2010072647-A2 | DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-07-01 | — | — | WO | disclosed |