Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 4/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KIF18A | Q8NI77 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.32 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.32 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.32 |
| ▸ | BAZ2A | Q9UIF9 | 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 | |
|---|---|---|---|---|
| SCHEMBL21564924 | 0.94 | HDAC10 (0.36) | POLBMAPK1ATMHDAC10HDAC6 | |
| SCHEMBL21550125 | 0.90 | ALDH1A1 (0.36) | PKMCYP1A2CYP2C19POLBMAPK1 | |
| SCHEMBL21550252 | 0.90 | ALDH1A1 (0.34) | PKMDRD2HDAC10HDAC6KCNA5 | |
| SCHEMBL20157852 | 0.89 | BRD4 (0.36) | PKMCYP2C19HDAC10HDAC6 | |
| SCHEMBL21564753 | 0.88 | POLB (0.38) | PKMCYP1A2CYP2C19DRD2POLB | |
| SCHEMBL20157351 | 0.88 | HDAC10 (0.36) | CYP2C19DRD2HDAC10HDAC6CYP2C9 | |
| SCHEMBL21550059 | 0.87 | NAMPT (0.33) | POLBMAPK1ATMHDAC10HDAC6 | |
| SCHEMBL20157909 | 0.87 | BRD4 (0.34) | CYP2C19HDAC10HDAC6CYP2C9HTT | |
| SCHEMBL21362637 | 0.86 | BRD4 (0.33) | HDAC10HDAC6BAZ2BBAZ2A | |
| SCHEMBL20158039 | 0.85 | BRD4 (0.34) | HDAC10HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019214399-A1 | BENZO- SEVEN-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF | 罗欣药业(上海)有限公司 (CN) | 2019-11-14 | — | — | WO | disclosed |
| WO-2019214399-A1 | BENZO- SEVEN-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF | 罗欣药业(上海)有限公司 (CN) | 2019-11-14 | — | — | WO | disclosed |