Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 5/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | ERN1 | O75460 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.46 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16180188 | 1.00 | CYP11B1 (0.49) | CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL16180062 | 0.88 | CYP11B1 (0.53) | CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2591901 | 0.84 | ERN1 (0.55) | CYP1A2CYP3A4CYP2C9ERN1ALDH1A1 | |
| SCHEMBL12108683 | 0.84 | CYP11B1 (0.65) | CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2318682 | 0.83 | MAP4K4 (0.55) | CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL28881249 | 0.81 | CYP11B1 (0.46) | CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL29597243 | 0.81 | CYP11B1 (0.50) | CYP11B1CYP11B2DYRK1A | |
| SCHEMBL29066294 | 0.81 | CYP11B1 (0.50) | CYP11B1CYP11B2DYRK1A | |
| SCHEMBL29987430 | 0.81 | CYP11B1 (0.46) | CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2581063 | 0.79 | DRD1 (0.64) | CYP1A2CYP3A4CYP2C9ERN1ALDH1A1 |
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-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 |
| 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 |