Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 9/20 | 0.34 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 3/20 | 0.31 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL21452251 | 0.79 | TRPA1 (0.36) | ARCYP2D6CYP2C9TACR1CYP2C19 | |
| SCHEMBL21452535 | 0.77 | GAA (0.40) | CACNA1GCACNA1BCACNA1CCYP2C9CYP2C19 | |
| SCHEMBL21452009 | 0.75 | CYP11B2 (0.38) | CYP2C9CYP2C19TSHR | |
| SCHEMBL21452002 | 0.73 | SLC22A12 (0.38) | ARCYP2D6CYP2C9TACR1CYP2C19 | |
| SCHEMBL21452004 | 0.73 | SLC22A12 (0.38) | ARCYP2D6CYP2C9TACR1CYP2C19 | |
| SCHEMBL21452538 | 0.70 | SLC22A12 (0.34) | ARCYP2D6CYP2C9TACR1CYP2C19 | |
| SCHEMBL21452005 | 0.69 | CYP2D6 (0.35) | ARCYP2D6CYP2C9TACR1CYP2C19 | |
| SCHEMBL26451021 | 0.68 | TSHR (0.61) | CACNA1CCYP2C9CYP2C19TSHR | |
| SCHEMBL21452447 | 0.64 | PDE2A (0.43) | PDE2AKCNN4 | |
| SCHEMBL21436244 | 0.63 | AR (0.34) | ARCYP2D6CYP2C9TACR1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3778579-A1 | AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF | Shanghai Jianhe Pharmaceutical & Technology Co. Ltd. (CN) | 2021-02-17 | — | — | EP | disclosed |
| WO-2019192602-A1 | AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海键合医药科技有限公司 | 2019-10-10 | — | — | WO | disclosed |