Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | AXL | P30530 | 2/20 | 0.40 |
| ▸ | VCP | P55072 | 3/20 | 0.38 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | INSR | P06213 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | CSF1R | P07333 | 1/20 | 0.36 |
| ▸ | LYN | P07948 | 1/20 | 0.36 |
| ▸ | KIT | P10721 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | FLT1 | P17948 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12612669 | 0.87 | CYP2A6 (0.50) | CYP2A6KEAP1PTGS2AXLVCP | |
| SCHEMBL27939440 | 0.79 | CYP2A6 (0.42) | CYP2A6KEAP1PTGS2AXLVCP | |
| SCHEMBL846923 | 0.77 | BRD4 (0.47) | EGFRKDRABL1 | |
| SCHEMBL12520537 | 0.76 | HRH4 (0.49) | ROCK2ROCK1 | |
| SCHEMBL12520432 | 0.74 | DHFR (0.56) | CYP2A6KEAP1PTGS2AXLVCP | |
| SCHEMBL10122036 | 0.72 | CYP2A6 (0.72) | CYP2A6KEAP1PTGS2AXLVCP | |
| SCHEMBL18000222 | 0.67 | MMP2 (0.56) | CYP2A6KEAP1PTGS2AXLMAP4K4 | |
| SCHEMBL397246 | 0.67 | CYP2A6 (1.00) | CYP2A6KEAP1PTGS2AXLVCP | |
| SCHEMBL5797966 | 0.66 | PTGS2 (0.60) | CYP2A6KEAP1PTGS2AXLEGFR | |
| SCHEMBL2598585 | 0.66 | CYP2A6 (0.45) | CYP2A6KEAP1VCP |
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 |
|---|---|---|---|---|---|---|---|
| EP-2433636-A1 | Treatment of Malignant Diseases | Medizinische Universität Wien (AT) | 2012-03-28 | — | — | EP | claimed |
| EP-2433636-A1 | Treatment of Malignant Diseases | Medizinische Universität Wien (AT) | 2012-03-28 | — | — | EP | disclosed |
| EP-2433636-A1 | Treatment of Malignant Diseases | Medizinische Universität Wien (AT) | 2012-03-28 | — | — | EP | disclosed |