Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.55 |
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
| ▸ | SCN1A | P35498 | 1/20 | 0.55 |
| ▸ | HTR2B | P41595 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.55 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL5227540 | 0.90 | KDM4E (0.56) | ALDH1A1MAPK1HRH3CYP1A2CHRM2 | |
| SCHEMBL5084989 | 0.90 | ITGB3 (0.52) | ALDH1A1MAPK1KMT2AMEN1NPC1 | |
| SCHEMBL3379566 | 0.86 | ALDH1A1 (0.53) | ALDH1A1HRH3KMT2AMEN1NPC1 | |
| SCHEMBL3379563 | 0.86 | ALDH1A1 (0.53) | ALDH1A1HRH3KMT2AMEN1NPC1 | |
| SCHEMBL3379568 | 0.86 | ALDH1A1 (0.53) | ALDH1A1HRH3KMT2AMEN1NPC1 | |
| SCHEMBL4686341 | 0.81 | SMN1; SMN2 (0.60) | MAPK1NPC1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL5505866 | 0.80 | SMN1; SMN2 (0.56) | MAPK1NPC1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL3645386 | 0.80 | SMN1; SMN2 (0.56) | MAPK1NPC1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL3378524 | 0.80 | SMN1; SMN2 (0.51) | ALDH1A1HRH3KMT2AMEN1NPC1 | |
| SCHEMBL31737836 | 0.80 | SMN1; SMN2 (0.51) | ALDH1A1HRH3KMT2AMEN1NPC1 |
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-1989186-A1 | HYDANTOIN BASED KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-11-12 | — | — | EP | 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 |
| WO-2007096259-A1 | HYDANTOIN BASED KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-08-30 | — | — | WO | disclosed |