Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.53 |
| ▸ | CES1 | P23141 | 5/20 | 0.53 |
| ▸ | NAAA | Q02083 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Thiobenzoic Acid SCHEMBL11675134 | 0.88 | CES2 (0.46) | CES2CES1NAAAPTGS2EPHX2 | |
| Tetrabuthylammonium SCHEMBL28923352 | 0.87 | CES2 (0.46) | CES2CES1NAAAPTGS2 | |
| Thiobenzoic Acid SCHEMBL28174854 | 0.82 | CA2 (0.48) | CES2CES1PKM | |
| Thiobenzoic Acid SCHEMBL28030107 | 0.81 | CES2 (0.53) | CES2CES1NAAAPTGS2EPHX2 | |
| Thiobenzoic Acid SCHEMBL6890939 | 0.78 | CA2 (0.48) | CES2CES1PKM | |
| Thiobenzoic Acid SCHEMBL6768673 | 0.78 | CA2 (0.48) | CES2CES1PKM | |
| Thiobenzoic Acid SCHEMBL22721212 | 0.78 | CA2 (0.48) | CES2CES1PKM | |
| Thiobenzoic Acid SCHEMBL20741484 | 0.78 | CA2 (0.48) | CES2CES1PKM | |
| Thiobenzoic Acid SCHEMBL28946274 | 0.78 | CA2 (0.48) | CES2CES1PKM | |
| Thiobenzoic Acid SCHEMBL28571982 | 0.78 | CA2 (0.48) | CES2CES1PKM |
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-107158381-A | A kind of preparation method and applications of the gold nano star@copper sulfide photo-thermal probes with photo-thermal enhancement effect | 商丘师范学院 | 2017-09-15 | — | — | CN | disclosed |