Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RB1 | P06400 | 7/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.55 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.49 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.49 |
| ▸ | CDC42 | P60953 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 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 | |
|---|---|---|---|---|
| SCHEMBL25248626 | 1.00 | RB1 (0.62) | RB1CYP2D6KCNH2BRD3SIRT1 | |
| SCHEMBL30455215 | 0.85 | CYP2D6 (0.76) | RB1CYP2D6KCNH2BRD3SIRT1 | |
| SCHEMBL25287616 | 0.85 | CYP2D6 (0.76) | RB1CYP2D6KCNH2BRD3SIRT1 | |
| SCHEMBL25247033 | 0.85 | CYP2D6 (0.76) | RB1CYP2D6KCNH2BRD3SIRT1 | |
| SCHEMBL4196180 | 0.85 | CYP2D6 (0.76) | RB1CYP2D6KCNH2BRD3SIRT1 | |
| Hydrochloric Acid SCHEMBL4158280 | 0.84 | CYP2D6 (0.74) | RB1CYP2D6KCNH2BRD3SIRT1 | |
| SCHEMBL30454869 | 0.83 | CYP2D6 (0.72) | RB1CYP2D6KCNH2BRD3CDC42 | |
| SCHEMBL25293517 | 0.83 | CYP2D6 (0.72) | RB1CYP2D6KCNH2BRD3CDC42 | |
| SCHEMBL25293518 | 0.83 | CYP2D6 (0.72) | RB1CYP2D6KCNH2BRD3CDC42 | |
| SCHEMBL25784195 | 0.83 | CYP2D6 (0.72) | RB1CYP2D6KCNH2BRD3CDC42 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023121238-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME | (주)메디픽 | 2023-06-29 | — | — | WO | disclosed |