Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD5 | P21918 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14893874 | 1.00 | HTR2C (0.46) | HTR2CHPGDALDH1A1CYP2C19KIF11 | |
| SCHEMBL12633104 | 0.95 | HTR2C (0.45) | HTR2CHPGDALDH1A1CYP2C19KIF11 | |
| SCHEMBL12633105 | 0.95 | HTR2C (0.45) | HTR2CHPGDALDH1A1CYP2C19KIF11 | |
| SCHEMBL7779276 | 0.79 | TSHR (0.54) | HTR2CNPC1HTR2ASLC6A4HTR2B | |
| SCHEMBL1499496 | 0.79 | TSHR (0.54) | HTR2CNPC1HTR2ASLC6A4HTR2B | |
| SCHEMBL6481069 | 0.79 | TSHR (0.54) | HTR2CNPC1HTR2ASLC6A4HTR2B | |
| SCHEMBL23647815 | 0.79 | KIF11 (0.43) | ALDH1A1KIF11GAADRD2DRD3 | |
| SCHEMBL18706863 | 0.79 | DRD3 (0.59) | ALDH1A1KIF11GAADRD2DRD3 | |
| SCHEMBL30802580 | 0.79 | KIF11 (0.43) | HTR2CKIF11HTR2ASLC6A4HTR2B | |
| SCHEMBL29866199 | 0.79 | KIF11 (0.43) | ALDH1A1KIF11GAADRD2DRD3 |
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-118222538-B | Halohydrin dehalogenase mutant and application thereof | 南京工业大学 | 2024-09-20 | — | — | CN | disclosed |
| CN-118620972-A | Application of halohydrin dehalogenase in catalytic synthesis of chiral tetrahydrofuran compound | 南京工业大学 | 2024-09-10 | — | — | CN | disclosed |
| CN-118222538-A | Halohydrin dehalogenase mutant and application thereof | 南京工业大学 | 2024-06-21 | — | — | CN | disclosed |