Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 5/20 | 0.37 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | TNKS | O95271 | 2/20 | 0.32 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21452518 | 0.87 | HDAC4 (0.34) | HDAC4 | |
| SCHEMBL21452575 | 0.85 | TNKS (0.33) | HDAC4TNKSTNKS2 | |
| SCHEMBL21451904 | 0.84 | HDAC4 (0.48) | HDAC4PDE7AGRIN1GRIN2ASLC6A4 | |
| SCHEMBL21452460 | 0.76 | GRIN1 (0.45) | HDAC4PDE7AGRIN1GRIN2ASLC6A4 | |
| SCHEMBL21452462 | 0.74 | PDE7A (0.37) | PDE7AGRIN1GRIN2ASLC6A4GRIN2D | |
| SCHEMBL21452512 | 0.74 | PDE7A (0.40) | HDAC4PDE7AGRIN1GRIN2ASLC6A4 | |
| SCHEMBL21452501 | 0.73 | PDE7A (0.36) | PDE7AGRIN1GRIN2ASLC6A4GRIN2D | |
| SCHEMBL21452174 | 0.72 | HDAC4 (0.39) | HDAC4PDE7AGRIN1GRIN2ASLC6A4 | |
| SCHEMBL21452189 | 0.72 | SLC6A4 (0.47) | SLC6A4OPRK1OPRM1 | |
| SCHEMBL21452484 | 0.72 | HDAC4 (0.36) | HDAC4 |
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 |