Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 5/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 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 | 0.90 | SMN1; SMN2 (0.59) | SMN1; SMN2CYP1A2CYP2C19HPGDRAB9A | |
| SCHEMBL3386794 | 0.85 | SMN1; SMN2 (0.65) | SMN1; SMN2CYP1A2CYP2C19HPGDRAB9A | |
| SCHEMBL7564366 | 0.84 | SMN1; SMN2 (0.60) | SMN1; SMN2CYP1A2CYP2C19HPGDRAB9A | |
| SCHEMBL5086262 | 0.82 | SMN1; SMN2 (0.49) | SMN1; SMN2CYP1A2CYP2C19HPGDRAB9A | |
| SCHEMBL1956240 | 0.81 | NLRP3 (0.66) | SMN1; SMN2CYP1A2CYP2C19HPGDRAB9A | |
| SCHEMBL7420206 | 0.80 | SMN1; SMN2 (0.59) | SMN1; SMN2CYP1A2CYP2C19HPGDRAB9A | |
| SCHEMBL10489645 | 0.80 | SMN1; SMN2 (0.53) | SMN1; SMN2CYP1A2CYP2C19HPGDRAB9A | |
| SCHEMBL3659008 | 0.79 | SMN1; SMN2 (0.57) | SMN1; SMN2CYP1A2CYP2C19HPGDRAB9A | |
| SCHEMBL6129365 | 0.78 | CYP1A2 (0.60) | SMN1; SMN2CYP1A2CYP2C19HPGDRAB9A | |
| SCHEMBL1952010 | 0.78 | NLRP3 (0.64) | SMN1; SMN2CYP1A2CYP2C19HPGDRAB9A |
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 1 patent. 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 |