Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MME | P08473 | 2/20 | 0.46 |
| ▸ | ACE | P12821 | 2/20 | 0.46 |
| ▸ | CPA1 | P15085 | 2/20 | 0.46 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7378641 | 0.93 | ALDH1A1 (0.54) | ALDH1A1GAANPSR1MMEACE | |
| SCHEMBL5089560 | 0.85 | CTSK (0.45) | ACEACE2LMNAITGB3ITGA2B | |
| SCHEMBL5086244 | 0.85 | CTSK (0.45) | ACEACE2LMNAITGB3ITGA2B | |
| SCHEMBL3870705 | 0.84 | CTSK (0.48) | ACEACE2LMNAITGB3ITGA2B | |
| SCHEMBL5503388 | 0.84 | CTSK (0.48) | ACEACE2LMNAITGB3ITGA2B | |
| SCHEMBL5502754 | 0.84 | HPGD (0.52) | ACEACE2LMNAITGB3ITGA2B | |
| SCHEMBL5199846 | 0.84 | ALDH1A1 (0.41) | ALDH1A1GAANPSR1KDM4EHSD17B10 | |
| SCHEMBL9826152 | 0.83 | LMNA (0.61) | ALDH1A1GAAMMEACECPA1 | |
| SCHEMBL2185240 | 0.82 | ITGB3 (0.58) | MMEACECPA1ACE2ITGB3 | |
| SCHEMBL844471 | 0.82 | ITGB3 (0.58) | MMEACECPA1ACE2ITGB3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008101840-A1 | COMBINATION OF ERLOTINIB AND MEK-INHIBITORS FOR INHIBITING PROLIFERATION OF TUMOR CELLS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-08-28 | — | — | WO | disclosed |
| EP-1791837-A1 | SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER | F. Hoffmann-Roche AG (CH) | 2007-06-06 | — | — | EP | disclosed |
| WO-2006029862-A1 | SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-23 | — | — | WO | disclosed |