Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.65 |
| ▸ | FAAH | O00519 | 2/20 | 0.58 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | ADH1B | P00325 | 2/20 | 0.38 |
| ▸ | ADH1C | P00326 | 2/20 | 0.38 |
| ▸ | ADH1A | P07327 | 2/20 | 0.38 |
| ▸ | ADH7 | P40394 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | ADH4 | P08319 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 3/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.34 |
| ▸ | PPARD | Q03181 | 2/20 | 0.34 |
| ▸ | PPARA | Q07869 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hexanal SCHEMBL1508073 | 0.85 | TSHR (0.79) | TSHRFAAHTRPV1ALDH1A1HIF1A | |
| Decanal SCHEMBL28179984 | 0.83 | TSHR (0.84) | TSHRFAAHTRPV1ALDH1A1ADH1B | |
| Benzene SCHEMBL28034489 | 0.83 | TSHR (0.84) | TSHRFAAHTRPV1ALDH1A1ADH1B | |
| Hexanal SCHEMBL1868190 | 0.83 | TSHR (0.94) | TSHRFAAHTRPV1ALDH1A1HIF1A | |
| Hexanal SCHEMBL27594083 | 0.83 | TSHR (0.94) | TSHRFAAHTRPV1ALDH1A1HIF1A | |
| Hexanal SCHEMBL22263 | 0.83 | — | — | |
| Decanal SCHEMBL1872948 | 0.80 | TSHR (1.00) | TSHRFAAHTRPV1ALDH1A1HIF1A | |
| SCHEMBL4879845 | 0.80 | TSHR (1.00) | TSHRFAAHTRPV1ALDH1A1HIF1A | |
| Decanal SCHEMBL2540 | 0.80 | TSHR (1.00) | TSHRFAAHTRPV1ALDH1A1HIF1A | |
| SCHEMBL120789 | 0.80 | TSHR (1.00) | TSHRFAAHTRPV1ALDH1A1HIF1A |
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-104069123-B | Xanthurenic acid (4,8-Er Qiangjikuilinjiasuan) derivatives medicinal composition and correlation technique thereof | 纳图龙公司 | 2016-10-05 | — | — | CN | disclosed |