Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL27363772 | 0.86 | TSHR (0.30) | TSHR | |
| SCHEMBL27654742 | 0.67 | PPARG (0.35) | TSHRALDH1A1 | |
| SCHEMBL1287361 | 0.60 | CYP2D6 (0.34) | TSHRALDH1A1 | |
| SCHEMBL7420736 | 0.59 | SMN1; SMN2 (0.47) | CA12CA14CA7CA9TSHR | |
| SCHEMBL19334673 | 0.59 | SMN1; SMN2 (0.47) | CA12CA14CA7CA9TSHR | |
| SCHEMBL15148112 | 0.59 | SMN1; SMN2 (0.47) | CA12CA14CA7CA9TSHR | |
| SCHEMBL304813 | 0.58 | — | — | |
| SCHEMBL15515336 | 0.58 | TSHR (0.45) | CA12CA14CA7CA9TSHR | |
| SCHEMBL7341351 | 0.58 | CA14 (0.48) | CA12CA14CA7CA9TSHR | |
| SCHEMBL7341355 | 0.58 | CA14 (0.48) | CA12CA14CA7CA9TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-1152910-A | Difluorostatone antiviral agents | MERRELL PHARMA INC (US) | 1997-06-25 | — | — | CN | disclosed |