Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 9/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 3/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 3/20 | 0.37 |
| ▸ | KDM5A | P29375 | 1/20 | 0.37 |
| ▸ | NPY2R | P49146 | 1/20 | 0.36 |
| ▸ | NPY1R | P25929 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL29943128 | 0.90 | CKS1B (0.42) | KCNH2OPRD1HSD11B1KMT2ACNR1 | |
| SCHEMBL23301224 | 0.86 | PBRM1 (0.52) | — | |
| SCHEMBL28810458 | 0.84 | OPRD1 (0.43) | KCNH2OPRD1HSD11B1MEN1KMT2A | |
| SCHEMBL29943255 | 0.84 | OPRD1 (0.51) | KCNH2OPRD1MEN1KMT2AALDH1A1 | |
| SCHEMBL23301640 | 0.84 | OPRD1 (0.51) | KCNH2OPRD1MEN1KMT2AALDH1A1 | |
| SCHEMBL23751677 | 0.82 | SMARCA2 (0.38) | MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL28810427 | 0.80 | SMARCA2 (0.54) | KCNH2OPRD1HSD11B1 | |
| SCHEMBL29943226 | 0.80 | SMARCA2 (0.54) | KCNH2OPRD1HSD11B1 | |
| SCHEMBL23573425 | 0.78 | HSD11B1 (0.63) | HSD11B1MEN1KMT2AALDH1A1CNR1 | |
| SCHEMBL29943200 | 0.78 | PBRM1 (0.56) | — |
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-2021083949-A1 | BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2021-05-06 | — | — | WO | disclosed |