Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 1/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | QDPR | P09417 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30681284 | 1.00 | DRD2 (0.53) | DRD2DRD4EPHX2QDPRMAPT | |
| SCHEMBL5586163 | 0.91 | QDPR (0.50) | DRD2DRD4EPHX2QDPRHTR2C | |
| SCHEMBL30681330 | 0.88 | DRD2 (0.46) | DRD2DRD4EPHX2 | |
| SCHEMBL5586162 | 0.88 | DRD2 (0.46) | DRD2DRD4EPHX2QDPRMAPT | |
| SCHEMBL28534549 | 0.82 | EPHX2 (0.49) | DRD2DRD4EPHX2MAPTKDM4E | |
| SCHEMBL30681521 | 0.82 | DRD2 (0.44) | DRD2DRD4EPHX2MAPTKDM4E | |
| SCHEMBL28574620 | 0.81 | EPHX2 (0.51) | DRD2DRD4EPHX2MAPTKDM4E | |
| SCHEMBL10074966 | 0.79 | DRD2 (0.52) | DRD2DRD4MAPTKDM4ECA12 | |
| SCHEMBL13190255 | 0.79 | EPHX2 (0.46) | DRD2DRD4EPHX2MAPTKDM4E | |
| SCHEMBL20656845 | 0.77 | DRD2 (0.49) | DRD2DRD4 |
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-111471037-B | Allylamine compound and application thereof | 药捷安康(南京)科技股份有限公司 | 2023-02-10 | — | — | CN | disclosed |
| CN-111471037-A | Allylamine compound and application thereof | 南京药捷安康生物科技有限公司 | 2020-07-31 | — | — | CN | disclosed |