Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.60 |
| ▸ | FDPS | P14324 | 1/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 10/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 9/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | IDH1 | O75874 | 1/20 | 0.45 |
| ▸ | BCL2 | P10415 | 1/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.43 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.42 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5109009 | 0.89 | TSHR (0.50) | CALM1FDPSCYP11B1CYP11B2TAAR1 | |
| SCHEMBL22474091 | 0.85 | CYP11B1 (0.64) | CALM1CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL28845152 | 0.85 | CYP11B1 (0.64) | CALM1FDPSCYP11B1CYP11B2IDH1 | |
| SCHEMBL6938414 | 0.85 | CALM1 (0.48) | CALM1FDPSCYP11B1CYP11B2TAAR1 | |
| SCHEMBL4731 | 0.85 | CALM1 (0.48) | CALM1FDPSCYP11B1CYP11B2TAAR1 | |
| SCHEMBL25732216 | 0.85 | CALM1 (0.48) | CALM1FDPSCYP11B1CYP11B2TAAR1 | |
| Hydrochloric Acid SCHEMBL26136027 | 0.83 | CYP11B1 (0.62) | CALM1CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL28173954 | 0.81 | CALM1 (0.80) | CALM1IDH1BCL2BCL2L1LTA4H | |
| SCHEMBL28544959 | 0.81 | CYP11B1 (0.57) | CYP11B1CYP11B2HRH3TBXAS1LTA4H | |
| SCHEMBL9318665 | 0.80 | MEN1 (0.52) | FDPSCYP11B1CYP11B2 |
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 |