Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 9/20 | 0.47 |
| ▸ | NPC1 | O15118 | 8/20 | 0.47 |
| ▸ | HPGD | P15428 | 5/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | STAT1 | P42224 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3655574 | 0.86 | SMN1; SMN2 (0.59) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1NLRP3 | |
| SCHEMBL3867996 | 0.79 | SMN1; SMN2 (0.68) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1RAB9A | |
| SCHEMBL8068696 | 0.79 | SMN1; SMN2 (0.54) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1NLRP3 | |
| SCHEMBL5086243 | 0.79 | SMN1; SMN2 (0.53) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1NLRP3 | |
| SCHEMBL28513102 | 0.78 | TSHR (0.55) | SMN1; SMN2CYP2C19ALDH1A1RAB9ANPC1 | |
| SCHEMBL8067585 | 0.77 | SMN1; SMN2 (0.52) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1NLRP3 | |
| SCHEMBL2320061 | 0.77 | SMN1; SMN2 (0.77) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1RAB9A | |
| SCHEMBL13506223 | 0.76 | SMN1; SMN2 (0.68) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1RAB9A | |
| SCHEMBL7378894 | 0.76 | SMN1; SMN2 (0.68) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1RAB9A | |
| SCHEMBL10489645 | 0.76 | SMN1; SMN2 (0.53) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1NLRP3 |
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-2234982-A1 | SUBSTITUTED HYDANTOINS AS MEK KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-10-06 | — | — | EP | disclosed |
| WO-2009080523-A1 | SUBSTITUTED HYDANTOINS AS MEK KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-07-02 | — | — | WO | disclosed |
| 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 |