Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12939050 | 1.00 | TSHR (0.35) | TSHRALDH1A1CYP2C19MAPK1 | |
| SCHEMBL11653262 | 0.88 | TSHR (0.39) | TSHRALDH1A1CYP2C19 | |
| SCHEMBL13921912 | 0.82 | TSHR (0.35) | TSHR | |
| SCHEMBL8531104 | 0.80 | TSHR (0.40) | TSHR | |
| SCHEMBL12774652 | 0.79 | ALDH1A1 (0.37) | ALDH1A1CYP2C19MAPK1 | |
| SCHEMBL5463684 | 0.78 | TSHR (0.36) | TSHRALDH1A1CYP2C19 | |
| SCHEMBL356590 | 0.77 | TSHR (0.37) | TSHRALDH1A1CYP2C19MAPK1 | |
| SCHEMBL213668 | 0.75 | — | — | |
| SCHEMBL12388236 | 0.75 | — | — | |
| SCHEMBL7893712 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2318408-B1 | TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS | VERTEX PHARMA (US) | 2016-02-17 | — | — | EP | disclosed |