Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | ADH1B | P00325 | 2/20 | 0.41 |
| ▸ | ADH1C | P00326 | 2/20 | 0.41 |
| ▸ | ADH1A | P07327 | 2/20 | 0.41 |
| ▸ | ADH7 | P40394 | 2/20 | 0.41 |
| ▸ | KDM1A | O60341 | 5/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | ADH4 | P08319 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 2/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL22771728 | 0.98 | TSHR (0.46) | TSHRALDH1A1ADH1BADH1CADH1A | |
| Hydrochloric Acid SCHEMBL22771729 | 0.98 | TSHR (0.46) | TSHRALDH1A1ADH1BADH1CADH1A | |
| Hydrochloric Acid SCHEMBL22771804 | 0.91 | TSHR (0.56) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL21958737 | 0.91 | TSHR (0.56) | TSHRALDH1A1ADH1BADH1CADH1A | |
| Hydrochloric Acid SCHEMBL22771805 | 0.91 | TSHR (0.56) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL18412461 | 0.91 | TSHR (0.48) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL15835839 | 0.85 | — | — | |
| SCHEMBL21524732 | 0.84 | ALDH1A1 (0.59) | TSHRALDH1A1ADH1BADH1CADH1A | |
| Hydrochloric Acid SCHEMBL22771822 | 0.83 | ADH1B (0.35) | TSHRALDH1A1ADH1BADH1AADH7 | |
| Hydrochloric Acid SCHEMBL22771823 | 0.83 | ADH1B (0.35) | TSHRALDH1A1ADH1BADH1AADH7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021208945-A1 | BENZONITRIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海中泽医药科技有限公司 | 2021-10-21 | — | — | WO | disclosed |