Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 14/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | PRKACA | P17612 | 1/20 | 0.43 |
| ▸ | PRKACG | P22612 | 1/20 | 0.43 |
| ▸ | PRKACB | P22694 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14224493 | 1.00 | TSHR (0.54) | TSHRMAPK1KDM4ELCKSRC | |
| SCHEMBL14611682 | 0.89 | MAPK1 (0.46) | TSHRMAPK1KDM4ELCKSRC | |
| SCHEMBL13007061 | 0.86 | MAPK1 (0.51) | MAPK1LCKSRCPRKACAPRKACG | |
| SCHEMBL13007018 | 0.86 | MAPK1 (0.51) | MAPK1LCKSRCPRKACAPRKACG | |
| SCHEMBL14197183 | 0.83 | MAPK1 (0.47) | TSHRMAPK1KDM4ELCKSRC | |
| SCHEMBL14370050 | 0.83 | MAPK1 (0.47) | TSHRMAPK1KDM4ELCKSRC | |
| SCHEMBL14197125 | 0.83 | MAPK1 (0.47) | TSHRMAPK1KDM4ELCKSRC | |
| SCHEMBL14611665 | 0.83 | MAPK1 (0.45) | TSHRMAPK1KDM4ELCKSRC | |
| SCHEMBL14224780 | 0.82 | KMT2A (0.47) | — | |
| SCHEMBL31037006 | 0.81 | MAPK1 (0.46) | MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7354919-B2 | Isoxazole compositions useful as inhibitors of ERK | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-04-08 | — | — | US | disclosed |