Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL5077167 | 0.87 | ALDH1A1 (0.30) | ALDH1A1TSHRTDP1 | |
| SCHEMBL18650064 | 0.87 | ALDH1A1 (0.30) | ALDH1A1TSHRTDP1 | |
| SCHEMBL1276431 | 0.78 | — | — | |
| SCHEMBL941407 | 0.78 | — | — | |
| SCHEMBL5073944 | 0.78 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL3887222 | 0.78 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL29079490 | 0.75 | — | — | |
| Bromide SCHEMBL31242531 | 0.75 | — | — | |
| SCHEMBL18650067 | 0.73 | — | — | |
| SCHEMBL6994 | 0.68 | — | — |
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-2018013508-A1 | SUBSTITUTED AMINOTHIAZOLES | BARUCH S. BLUMBERG INSTITUTE (US) | 2018-01-18 | — | — | WO | disclosed |