Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGM2 | P21980 | 1/20 | 0.50 |
| ▸ | PPARG | P37231 | 5/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 7/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 7/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10254786 | 0.88 | TGM2 (0.51) | TGM2PPARGPPARAPOLBITGB3 | |
| SCHEMBL5503388 | 0.85 | CTSK (0.48) | PPARGPPARAITGB3ITGA2BCTSK | |
| SCHEMBL10254586 | 0.84 | TGM2 (0.49) | TGM2PPARGPPARAITGB3EPHX2 | |
| SCHEMBL5086244 | 0.83 | CTSK (0.45) | PPARGPPARAITGB3ITGA2BCTSK | |
| SCHEMBL5089560 | 0.83 | CTSK (0.45) | PPARGPPARAITGB3ITGA2BCTSK | |
| SCHEMBL7446374 | 0.82 | TGM2 (0.55) | TGM2PPARGPPARAITGB3ITGA2B | |
| SCHEMBL7446370 | 0.82 | TGM2 (0.55) | TGM2PPARGPPARAITGB3ITGA2B | |
| SCHEMBL14233289 | 0.82 | TGM2 (0.55) | TGM2PPARGPPARAITGB3ITGA2B | |
| SCHEMBL5502754 | 0.82 | HPGD (0.52) | PPARGPPARAITGB3ITGA2BCTSK | |
| SCHEMBL3870705 | 0.82 | CTSK (0.48) | PPARGPPARAITGB3ITGA2BCTSK |
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 |