Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRG2 | P18507 | 7/20 | 0.48 |
| ▸ | GABRB3 | P28472 | 7/20 | 0.48 |
| ▸ | GABRA5 | P31644 | 7/20 | 0.48 |
| ▸ | GABRA3 | P34903 | 7/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | BRD2 | P25440 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 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 | |
|---|---|---|---|---|
| SCHEMBL28881250 | 1.00 | GABRG2 (0.48) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL16180558 | 0.88 | CYP11B1 (0.49) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL15821011 | 0.84 | TRIM24 (0.49) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL746371 | 0.83 | CYP11B2 (0.49) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL28881256 | 0.81 | GABRG2 (0.45) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL28881260 | 0.81 | GABRG2 (0.45) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL29987372 | 0.81 | GABRG2 (0.45) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL5849310 | 0.79 | XDH (0.50) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL1476029 | 0.79 | RAF1 (0.47) | — | |
| SCHEMBL30345862 | 0.77 | MKNK1 (0.47) | CYP11B2CYP11B1 |
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 |