Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 6/20 | 0.45 |
| ▸ | DRD3 | P35462 | 5/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | PHGDH | O43175 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL23064291 | 1.00 | AKR1C3 (0.46) | AKR1C3DRD2DRD3GAAMAPT | |
| SCHEMBL30778026 | 1.00 | AKR1C3 (0.46) | AKR1C3DRD2DRD3GAAMAPT | |
| SCHEMBL23701855 | 1.00 | AKR1C3 (0.46) | AKR1C3DRD2DRD3GAAMAPT | |
| SCHEMBL23064354 | 0.84 | AKR1C3 (0.49) | AKR1C3DRD2DRD3GAAMAPT | |
| SCHEMBL31050090 | 0.84 | AKR1C3 (0.49) | AKR1C3DRD2DRD3GAAMAPT | |
| SCHEMBL23064314 | 0.84 | AKR1C3 (0.49) | AKR1C3DRD2DRD3GAAMAPT | |
| SCHEMBL30633892 | 0.84 | AKR1C3 (0.49) | AKR1C3DRD2DRD3GAAMAPT | |
| SCHEMBL23064255 | 0.81 | P2RX7 (0.50) | AKR1C3GAAMAPTKDM4ESMN1; SMN2 | |
| SCHEMBL31050099 | 0.81 | P2RX7 (0.50) | AKR1C3GAAMAPTKDM4ESMN1; SMN2 | |
| SCHEMBL23064296 | 0.81 | P2RX7 (0.50) | AKR1C3GAAMAPTKDM4ESMN1; SMN2 |
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-112204017-B | Benzisoxazole compounds | 国立大学法人大阪大学 | 2024-08-20 | — | — | CN | disclosed |