Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.56 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.56 |
| ▸ | HTR2B | P41595 | 3/20 | 0.56 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | MLNR | O43193 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5790764 | 0.91 | CYP2C9 (0.53) | CYP2C9CYP2C19MAPK14HTR2BHTT | |
| SCHEMBL5792828 | 0.91 | CYP2C9 (0.53) | CYP2C9CYP2C19MAPK14HTR2BHTT | |
| SCHEMBL5789369 | 0.91 | CYP2C9 (0.55) | CYP2C9CYP2C19MAPK14HTR2BHTT | |
| SCHEMBL5789363 | 0.89 | CYP2C9 (0.51) | CYP2C9CYP2C19MAPK14HTR2BHTT | |
| SCHEMBL5789656 | 0.89 | CYP2C9 (0.51) | CYP2C9CYP2C19MAPK14HTR2BHTT | |
| SCHEMBL5790972 | 0.87 | CYP2C9 (0.49) | CYP2C9CYP2C19MAPK14HTR2BHTT | |
| SCHEMBL5789791 | 0.84 | HTT (0.55) | CYP2C9CYP2C19MAPK14HTR2BHTT | |
| SCHEMBL5789503 | 0.82 | MEN1 (0.48) | CYP2C9CYP2C19MAPK14HTR2BHTT | |
| SCHEMBL5792554 | 0.80 | CYP2C9 (0.50) | CYP2C9CYP2C19MAPK14HTR2BHTT | |
| SCHEMBL5789945 | 0.80 | CYP2C9 (0.58) | CYP2C9CYP2C19MAPK14HTR2BHTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006016237-A2 | HETEROCYCLIC DERIVATIVES AS ANTI-INFLAMMATORY AGENTS | RANBAXY LABORATORIES LIMITED (IN) | 2006-02-16 | — | — | WO | claimed |
| WO-2006016237-A2 | HETEROCYCLIC DERIVATIVES AS ANTI-INFLAMMATORY AGENTS | RANBAXY LABORATORIES LIMITED (IN) | 2006-02-16 | — | — | WO | disclosed |