Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.55 |
| ▸ | METAP1 | P53582 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CYP24A1 | Q07973 | 2/20 | 0.43 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.43 |
| ▸ | CYP27A1 | Q02318 | 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 | |
|---|---|---|---|---|
| SCHEMBL992002 | 1.00 | ACHE (0.56) | ACHECYP19A1METAP1ALDH1A1CYP3A4 | |
| SCHEMBL3587277 | 0.88 | CYP24A1 (0.55) | ACHECYP19A1METAP1DRD2DRD3 | |
| SCHEMBL5237018 | 0.83 | ACHE (0.71) | ACHECYP19A1METAP1ALDH1A1CYP3A4 | |
| SCHEMBL5237012 | 0.83 | ACHE (0.71) | ACHECYP19A1METAP1ALDH1A1CYP3A4 | |
| SCHEMBL5237022 | 0.83 | ACHE (0.71) | ACHECYP19A1METAP1ALDH1A1CYP3A4 | |
| SCHEMBL13363970 | 0.81 | ACHE (0.56) | ACHECYP19A1METAP1DRD2DRD3 | |
| SCHEMBL31040171 | 0.81 | CYP19A1 (0.59) | ACHECYP19A1METAP1ALDH1A1CYP3A4 | |
| SCHEMBL3875408 | 0.81 | ACHE (0.56) | ACHECYP19A1METAP1ALDH1A1CYP3A4 | |
| SCHEMBL6630846 | 0.81 | ACHE (0.56) | ACHECYP19A1METAP1DRD2DRD3 | |
| SCHEMBL30714800 | 0.81 | ACHE (0.56) | ACHECYP19A1METAP1ALDH1A1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117126126-A | Method for asymmetrically synthesizing adjacent halohydrin compound | 凯特立斯（深圳）科技有限公司 | 2023-11-28 | — | — | CN | disclosed |