Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17444940 | 0.85 | ALDH1A1 (0.36) | ALDH1A1TSHRMAPK1 | |
| SCHEMBL14812757 | 0.83 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL12372465 | 0.75 | ALDH1A1 (0.36) | ALDH1A1TSHRMAPK1 | |
| SCHEMBL9328511 | 0.74 | GABRR1 (0.33) | ALDH1A1 | |
| SCHEMBL7561024 | 0.74 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL27282625 | 0.73 | ALDH1A1 (0.35) | ALDH1A1TSHRMAPK1 | |
| SCHEMBL14201318 | 0.73 | ALDH1A1 (0.35) | ALDH1A1TSHRMAPK1 | |
| SCHEMBL9950688 | 0.73 | GABBR2 (0.34) | ALDH1A1 | |
| SCHEMBL5933640 | 0.72 | — | — | |
| SCHEMBL21126665 | 0.72 | — | — |
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-3558979-B1 | NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2021-02-17 | — | — | EP | disclosed |