Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | FRK | P42685 | 1/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.33 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.33 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL9011063 | 0.87 | TSHR (0.53) | TSHRNAPRTTDP1 | |
| Benzene SCHEMBL6493686 | 0.84 | ALDH1A1 (0.40) | TSHRTDP1ALDH1A1 | |
| 1,6-Hexanediol SCHEMBL11582636 | 0.81 | TSHR (0.53) | TSHRNAPRTTDP1PRKD3MAP4K4 | |
| Pyridine SCHEMBL1920744 | 0.81 | TSHR (0.53) | TSHRNAPRTTDP1PRKD3MAP4K4 | |
| Pyridine SCHEMBL29013612 | 0.81 | TSHR (0.53) | TSHRNAPRTTDP1ALDH1A1 | |
| Pyridine SCHEMBL4592912 | 0.78 | TSHR (0.64) | TSHRNAPRTTDP1KDM4EALDH1A1 | |
| Pyridine SCHEMBL367049 | 0.78 | TSHR (0.64) | TSHRNAPRTTDP1ALDH1A1 | |
| Pyridine SCHEMBL2471872 | 0.78 | TSHR (0.64) | TSHRNAPRTTDP1KDM4EALDH1A1 | |
| Pyridine SCHEMBL1095589 | 0.75 | NAPRT (0.60) | TSHRNAPRTTDP1ALDH1A1 | |
| Pyridine SCHEMBL12476946 | 0.75 | ALDH1A1 (0.55) | TSHRNAPRTTDP1TBXAS1ALDH1A1 |
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-113025371-B | Ionic liquid for extracting phenolic compounds from oil and screening method thereof | 中国矿业大学(北京) | 2022-03-01 | — | — | CN | disclosed |
| CN-113025371-A | Ionic liquid for extracting phenolic compounds from oil and screening method thereof | 中国矿业大学(北京) | 2021-06-25 | — | — | CN | disclosed |