Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL21183438 | 0.75 | TSHR (0.33) | TSHRTDP1 | |
| SCHEMBL18427878 | 0.75 | — | — | |
| SCHEMBL5792579 | 0.73 | TSHR (0.38) | TSHRTDP1 | |
| SCHEMBL24201168 | 0.71 | TSHR (0.30) | TSHRTDP1 | |
| SCHEMBL13912342 | 0.69 | TSHR (0.40) | TSHRTDP1ALDH1A1 | |
| SCHEMBL20609998 | 0.69 | TSHR (0.40) | TSHRTDP1ALDH1A1 | |
| SCHEMBL22866384 | 0.69 | TSHR (0.40) | TSHRTDP1ALDH1A1 | |
| SCHEMBL13081598 | 0.69 | — | — | |
| SCHEMBL10231063 | 0.69 | TSHR (0.40) | TSHRTDP1ALDH1A1 | |
| SCHEMBL9260638 | 0.69 | — | — |
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-2245033-B1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2011-08-31 | — | — | EP | disclosed |