Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19704078 | 0.79 | JAK2 (0.36) | TSHRJAK2JAK1KDM1AMAOB | |
| SCHEMBL24932886 | 0.78 | KCNH2 (0.41) | KCNH2 | |
| SCHEMBL24695307 | 0.77 | TSHR (0.36) | TSHRJAK2JAK1KDM1AMAOB | |
| SCHEMBL16579961 | 0.75 | KCNH2 (0.45) | KCNH2TSHRGNAI3GNAO1GNAI1 | |
| SCHEMBL25511691 | 0.75 | TSHR (0.42) | TSHR | |
| SCHEMBL20964359 | 0.74 | JAK2 (0.34) | TSHRJAK2JAK1KDM1AMAOB | |
| SCHEMBL24942651 | 0.74 | CYP1A2 (0.36) | TSHRJAK2JAK1KDM1AMAOB | |
| SCHEMBL22874109 | 0.73 | TSHR (0.38) | TSHR | |
| SCHEMBL24993003 | 0.73 | OPRM1 (0.52) | KDM1AMAOB | |
| SCHEMBL17347035 | 0.72 | KCNH2 (0.38) | KCNH2 |
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-2017211303-A1 | NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2017-12-14 | — | — | WO | disclosed |