Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.32 |
| ▸ | NR5A1 | Q13285 | 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 | |
|---|---|---|---|---|
| SCHEMBL11039718 | 0.88 | — | — | |
| SCHEMBL14476935 | 0.83 | — | — | |
| SCHEMBL14615605 | 0.80 | CYP19A1 (0.31) | — | |
| SCHEMBL8592938 | 0.80 | CYP19A1 (0.31) | — | |
| SCHEMBL4346082 | 0.80 | CYP19A1 (0.31) | — | |
| SCHEMBL28597081 | 0.80 | TSHR (0.35) | TSHRTHRBNR5A1 | |
| SCHEMBL4484737 | 0.78 | TSHR (0.33) | TSHRTHRBNR5A1 | |
| SCHEMBL4488798 | 0.76 | NR5A1 (0.31) | TSHRTHRBNR5A1 | |
| SCHEMBL14017964 | 0.74 | MEN1 (0.35) | TSHR | |
| SCHEMBL4489686 | 0.73 | MEN1 (0.34) | TSHR |
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-113899837-A | High-flux non-targeted screening method for pollutants in regenerated PET (polyethylene terephthalate) material for food contact | 广州海关技术中心 | 2022-01-07 | — | — | CN | disclosed |