Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.32 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12848310 | 0.80 | CYP2D6 (0.47) | CYP2D6DRD2ALDH1A1CYP3A4PIK3CD | |
| SCHEMBL23514936 | 0.79 | OPRM1 (0.39) | OPRM1OPRD1OPRK1CYP2D6ALDH1A1 | |
| SCHEMBL26813264 | 0.77 | OPRM1 (0.35) | OPRM1OPRD1OPRK1CYP2D6PIK3CD | |
| SCHEMBL4420326 | 0.77 | CYP2D6 (0.34) | CYP2D6DRD2ALDH1A1CYP3A4PIK3CD | |
| SCHEMBL24023540 | 0.75 | CYP2D6 (0.33) | CYP2D6DRD2ALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL12940382 | 0.75 | MAPT (0.57) | ALDH1A1PRMT5WDR77 | |
| SCHEMBL17176304 | 0.74 | OPRM1 (0.36) | OPRM1OPRD1OPRK1CYP2D6ALDH1A1 | |
| SCHEMBL3419547 | 0.74 | CYP2D6 (0.42) | CYP2D6ALDH1A1CYP3A4PIK3CDSMN1; SMN2 | |
| SCHEMBL25001373 | 0.72 | CYP2D6 (0.41) | OPRM1OPRD1OPRK1CYP2D6ALDH1A1 | |
| SCHEMBL7858206 | 0.72 | KDM4E (0.40) | OPRM1OPRD1OPRK1CYP2D6DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022261777-A1 | USE OF ATR INHIBITORS IN COMBINATION WITH PARP INHIBITORS FOR TREATING CANCER | REPARE THERAPEUTICS INC. (CA) | 2022-12-22 | — | — | WO | disclosed |
| WO-2021119523-A1 | USE OF ATR INHIBITORS IN COMBINATION WITH PARP INHIBITORS | REPARE THERAPEUTICS INC. (CA) | 2021-06-17 | — | — | WO | disclosed |