Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.57 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.57 |
| ▸ | TBXAS1 | P24557 | 9/20 | 0.56 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.54 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29995759 | 0.92 | CYP11B1 (0.65) | CYP11B1CYP11B2TBXAS1LTA4HHRH4 | |
| SCHEMBL177863 | 0.92 | CYP11B1 (0.65) | CYP11B1CYP11B2TBXAS1LTA4HHRH4 | |
| Hydrochloric Acid SCHEMBL10665044 | 0.90 | TBXAS1 (0.64) | CYP11B1CYP11B2TBXAS1LTA4HHRH4 | |
| Ammonia Solution, Strong SCHEMBL5999508 | 0.90 | CYP11B1 (0.62) | CYP11B1CYP11B2TBXAS1GRM2LTA4H | |
| SCHEMBL14257669 | 0.87 | CYP1A2 (0.56) | CYP11B1CYP11B2TBXAS1HRH4HRH3 | |
| SCHEMBL727185 | 0.85 | CYP1A2 (0.62) | CYP11B1CYP11B2TBXAS1HRH4HRH3 | |
| SCHEMBL171355 | 0.85 | CHRNA7 (0.53) | CYP11B1CYP11B2TBXAS1HRH4HRH3 | |
| SCHEMBL20927237 | 0.82 | TDP1 (0.54) | CYP11B1CYP11B2TBXAS1GRM2HRH4 | |
| SCHEMBL10487072 | 0.81 | PKM (0.51) | CYP11B1CYP11B2TBXAS1HRH4HRH3 | |
| SCHEMBL10958328 | 0.81 | TBXAS1 (0.49) | CYP11B1CYP11B2TBXAS1HRH4HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112375040-B | Method for preparing nitrogen-containing heterocyclic compound and derivative thereof by enzyme-chemical cascade method | 南京工业大学 | 2022-03-04 | — | — | CN | disclosed |
| CN-112375040-A | Method for preparing nitrogen-containing heterocyclic compound and derivative thereof by enzyme-chemical cascade method | 南京工业大学 | 2021-02-19 | — | — | CN | disclosed |