Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL85297 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL27587457 | 0.83 | — | — | |
| Pyridine SCHEMBL28103267 | 0.80 | TDP1 (0.36) | TSHRNAPRTTDP1MAPTSLC6A2 | |
| Pyridine SCHEMBL28126188 | 0.73 | FABP1 (0.46) | ALDH1A1HPGDMAPT | |
| Pyridine SCHEMBL28095262 | 0.72 | TDP1 (0.41) | TSHRNAPRTTDP1SLC6A2SLC6A4 | |
| Pyridine SCHEMBL15263781 | 0.72 | TSHR (0.41) | TSHRNAPRTTDP1ALDH1A1SLC6A2 | |
| Pyridine SCHEMBL1063058 | 0.72 | — | — | |
| Pyridine SCHEMBL28084443 | 0.71 | TSHR (0.39) | TSHRNAPRTTDP1ALDH1A1SLC6A2 | |
| Pyridine SCHEMBL28062605 | 0.71 | TSHR (0.39) | TSHRNAPRTTDP1ALDH1A1SLC6A2 | |
| Pyridine SCHEMBL28266645 | 0.71 | TSHR (0.39) | TSHRNAPRTTDP1ALDH1A1SLC6A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110028470-A | A kind of process using carbon dioxide production dehydroactic acid and Pogostone and the like | 南开大学 | 2019-07-19 | — | — | CN | disclosed |
| CN-109553641-A | Novel pincer metal complex and its application | 中国科学院上海有机化学研究所 | 2019-04-02 | — | — | CN | disclosed |