Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIP4K2B | P78356 | 1/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1582492 | 1.00 | PIP4K2B (0.51) | PIP4K2BCYP11B1CYP11B2KDM4EMEN1 | |
| SCHEMBL31180051 | 0.84 | PTGS2 (0.38) | PIP4K2BPTGS2ALDH1A1HDAC1 | |
| SCHEMBL1356430 | 0.84 | PTGS2 (0.38) | PIP4K2BPTGS2ALDH1A1HDAC1 | |
| SCHEMBL2558411 | 0.81 | CYP3A4 (0.41) | PIP4K2BCYP11B1CYP11B2KDM4EMEN1 | |
| SCHEMBL2321467 | 0.81 | HDAC1 (0.55) | PIP4K2BKDM4EMEN1KMT2ACHRNB4 | |
| SCHEMBL13621779 | 0.81 | PTGS2 (0.54) | PIP4K2BCYP11B1CYP11B2SCN10ACHRNB4 | |
| SCHEMBL30345862 | 0.81 | MKNK1 (0.47) | CYP11B1CYP11B2KDM4EMEN1KMT2A | |
| SCHEMBL2106457 | 0.81 | MKNK1 (0.47) | CYP11B1CYP11B2KDM4EMEN1KMT2A | |
| SCHEMBL29066290 | 0.81 | PIP4K2B (0.54) | PIP4K2BCYP11B1CYP11B2KDM4ECHRNB4 | |
| SCHEMBL28129428 | 0.81 | PTGS2 (0.38) | PIP4K2BPTGS2HDAC1KIF11 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115304591-B | Bridged ring steroid synthetase inhibitor and preparation method and application thereof | 广州中医药大学(广州中医药研究院) | 2024-10-01 | — | — | CN | disclosed |
| EP-4255902-A1 | 2,3-DIHYDRO-4H-BENZO[B][1,4]OXAZIN-4-YL)(5-(PHENYL)-PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP11A1 INHIBITORS FOR THE TREATMENT OF PROSTATE CANCER | Orion Corporation (FI) | 2023-10-11 | — | — | EP | disclosed |
| CN-115304591-A | Bridged steroid synthetase inhibitor and preparation method and application thereof | 广州中医药大学(广州中医药研究院) | 2022-11-08 | — | — | CN | disclosed |
| WO-2022117920-A1 | 2,3-DIHYDRO-4H-BENZO[B][1,4]OXAZIN-4-YL)(5-(PHENYL)-PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP11A1 INHIBITORS FOR THE TREATMENT OF PROSTATE CANCER | ORION CORPORATION (FI) | 2022-06-09 | — | — | WO | disclosed |