Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4505678 | 0.99 | ALDH1A1 (0.33) | ALDH1A1TSHR | |
| SCHEMBL4486933 | 0.78 | PLA2G1B (0.43) | — | |
| SCHEMBL4480912 | 0.73 | — | — | |
| SCHEMBL4493426 | 0.70 | — | — | |
| SCHEMBL4491376 | 0.70 | GAA (0.33) | TSHR | |
| SCHEMBL4491009 | 0.69 | ALDH1A1 (0.43) | ALDH1A1NPSR1 | |
| SCHEMBL4499053 | 0.69 | AGTR1 (0.36) | — | |
| SCHEMBL4487829 | 0.68 | KDM4E (0.30) | — | |
| SCHEMBL4488837 | 0.67 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL4497030 | 0.67 | — | — |
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-7504429-B2 | Tyrosine kinase inhibitors | MERCK & CO., INC. (US) | 2009-03-17 | — | — | US | claimed |