Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL2735994 | 0.84 | — | — | |
| Pyridine SCHEMBL28329116 | 0.73 | TSHR (0.70) | TSHRNAPRTTDP1GAA | |
| Pyridine SCHEMBL28212748 | 0.72 | PPARA (0.48) | PPARATSHRACHEMAOATDP1 | |
| SCHEMBL21613918 | 0.71 | TSHR (0.65) | TSHRNAPRTTDP1CYP2C19GAA | |
| Pyridine SCHEMBL28138233 | 0.68 | TSHR (0.38) | PPARATSHRNAPRTTDP1GAA | |
| SCHEMBL24773512 | 0.67 | — | — | |
| Pyridine SCHEMBL28758817 | 0.67 | TSHR (0.46) | TSHRTDP1CYP2C19GAA | |
| O-Xylene SCHEMBL27528375 | 0.67 | TSHR (0.58) | TSHRACHENAPRTTDP1CYP2C19 | |
| P-Xylene SCHEMBL27528373 | 0.67 | TSHR (0.58) | TSHRACHETDP1CYP2C9CYP2C19 | |
| Fluoride SCHEMBL29031926 | 0.65 | — | — |
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-109651388-A | Parithenolide dithiocarbamate derivative and its salt, medical composition and its use | 南开大学 | 2019-04-19 | — | — | CN | disclosed |