Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9284591 | 0.87 | — | — | |
| SCHEMBL2541103 | 0.87 | — | — | |
| SCHEMBL3049981 | 0.78 | — | — | |
| SCHEMBL9316712 | 0.78 | TSHR (0.37) | TSHR | |
| SCHEMBL176309 | 0.78 | TSHR (0.37) | TSHR | |
| SCHEMBL15107680 | 0.77 | TRPA1 (0.32) | TSHR | |
| SCHEMBL9915253 | 0.77 | TRPA1 (0.32) | TSHR | |
| SCHEMBL27397911 | 0.76 | — | — | |
| SCHEMBL2499904 | 0.75 | — | — | |
| SCHEMBL111181 | 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-0790971-B1 | PROCESS FOR THE REMOVAL OF COLOR FORMING MATERIAL FROM 1,4 BUTANEDIOL AND ITS APPLICATION TO THE PREPARATION OF PTMEG | DU PONT (US) | 2001-02-07 | — | — | EP | claimed |