Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 11/20 | 0.48 |
| ▸ | DRD3 | P35462 | 11/20 | 0.48 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.41 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.41 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.41 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28590630 | 1.00 | DRD2 (0.48) | DRD2DRD3ABCC9ABCC8KCNJ11 | |
| SCHEMBL28958186 | 0.85 | DRD2 (0.47) | DRD2DRD3ABCC9ABCC8KCNJ11 | |
| SCHEMBL30125283 | 0.85 | DRD2 (0.47) | DRD2DRD3ABCC9ABCC8KCNJ11 | |
| SCHEMBL28590433 | 0.80 | HTR7 (0.38) | KDM1AMAOAMAOB | |
| SCHEMBL31083652 | 0.75 | DRD2 (0.47) | DRD2DRD3ABCC9ABCC8KCNJ11 | |
| SCHEMBL25359232 | 0.73 | DRD2 (0.54) | DRD2DRD3ABCC9ABCC8KCNJ11 | |
| SCHEMBL4875328 | 0.73 | DRD2 (0.67) | DRD2DRD3ABCC9ABCC8KCNJ11 | |
| SCHEMBL28580157 | 0.73 | KDM1A (0.43) | KDM1AMAOAMAOB | |
| SCHEMBL21610802 | 0.71 | MGLL (0.38) | TSHRNOTUMKDM1A | |
| SCHEMBL31523251 | 0.70 | DRD2 (0.73) | DRD2DRD3ABCC9ABCC8KCNJ11 |
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-113072420-B | 2-aryl substituted gem-difluoro cyclobutane compounds and preparation method thereof | 中山大学 | 2022-05-20 | — | — | CN | disclosed |