Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | RBP4 | P02753 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28770717 | 0.85 | KDM4E (0.35) | — | |
| SCHEMBL27732182 | 0.81 | KMT2A (0.37) | RBP4CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27712215 | 0.77 | KMT2A (0.35) | RBP4CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27732200 | 0.76 | HCAR1 (0.42) | HCAR1P2RX7CYP2C9 | |
| SCHEMBL27732316 | 0.76 | HCAR1 (0.36) | HCAR1P2RX7RBP4 | |
| SCHEMBL27732180 | 0.75 | GAA (0.39) | — | |
| SCHEMBL27712037 | 0.75 | PRKCZ (0.45) | — | |
| SCHEMBL27732170 | 0.75 | PRKCZ (0.36) | HCAR1 | |
| SCHEMBL27732197 | 0.75 | TSHR (0.38) | — | |
| SCHEMBL27712214 | 0.73 | PRKCZ (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101243050-B | Pyrazolone derivatives | HOFFMANN LA ROCHE | 2012-07-04 | — | — | CN | disclosed |
| CN-101243050-A | Pyrazolone derivatives | HOFFMANN LA ROCHE (CH) | 2008-08-13 | — | — | CN | disclosed |