Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 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 | |
|---|---|---|---|---|
| SCHEMBL11917195 | 0.84 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL17113449 | 0.83 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL11913027 | 0.81 | CES2 (0.40) | CYP3A4CYP2C9CYP2C19KCNH2CES2 | |
| SCHEMBL14330656 | 0.80 | KCNH2 (0.39) | CYP1A2KCNH2CES2CES1MAPT | |
| SCHEMBL20903514 | 0.78 | GAA (0.40) | CYP3A4CYP2C9CYP2C19CES2CES1 | |
| SCHEMBL29061260 | 0.75 | ALDH1A1 (0.37) | CYP3A4CYP1A2ALDH1A1POLBMAPT | |
| SCHEMBL18650595 | 0.75 | MAP4K4 (0.38) | KCNH2 | |
| SCHEMBL18661269 | 0.74 | CES2 (0.42) | CES2CES1ALDH1A1POLBMAPT | |
| SCHEMBL2554655 | 0.74 | CES2 (0.42) | CES2CES1ALDH1A1POLBMAPT | |
| SCHEMBL14332118 | 0.74 | CYP3A4 (0.43) | CYP3A4KCNH2CES2CES1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116675672-A | New preparation method of antifungal medicine | 北京康立生医药技术开发有限公司 | 2023-09-01 | — | — | CN | claimed |
| CN-116675672-A | New preparation method of antifungal medicine | 北京康立生医药技术开发有限公司 | 2023-09-01 | — | — | CN | disclosed |
| CN-116675672-A | New preparation method of antifungal medicine | 北京康立生医药技术开发有限公司 | 2023-09-01 | — | — | CN | disclosed |