Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 4/20 | 0.71 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.71 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.71 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.64 |
| ▸ | CHRNA5 | P30532 | 2/20 | 0.64 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.64 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.59 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.55 |
| ▸ | AXL | P30530 | 1/20 | 0.55 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.55 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.55 |
| ▸ | IDO1 | P14902 | 2/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.54 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL13537172 | 1.00 | CYP11B2 (0.71) | CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5 | |
| SCHEMBL1690481 | 0.85 | CYP11B2 (0.68) | CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5 | |
| Benzonitrile SCHEMBL29165371 | 0.85 | CYP11B2 (0.79) | CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5 | |
| SCHEMBL1422883 | 0.84 | CHRNB2 (0.67) | CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5 | |
| SCHEMBL18890284 | 0.83 | IDO1 (0.56) | CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5 | |
| SCHEMBL4511285 | 0.83 | CYP11B2 (1.00) | CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5 | |
| SCHEMBL3608623 | 0.82 | CHRNB2 (0.54) | CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5 | |
| SCHEMBL2154026 | 0.82 | CLK4 (0.65) | CLK4IDO1GABRA1GABRG2GABRB3 | |
| SCHEMBL29984880 | 0.81 | CYP2A6 (0.56) | CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5 | |
| SCHEMBL28881990 | 0.81 | CYP2A6 (0.56) | CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5 |
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-117567435-A | Glutamine cyclase inhibitor and application thereof | 上海市第十人民医院 | 2024-02-20 | — | — | CN | disclosed |
| CN-114805341-B | Aromatic heterocyclic compound, and preparation method and application thereof | 上海翊石医药科技有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-114805341-A | Aromatic heterocyclic compounds and preparation method and application thereof | 上海翊石医药科技有限公司 | 2022-07-29 | — | — | CN | disclosed |