Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | AXL | P30530 | 2/20 | 0.42 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.41 |
| ▸ | PRKCB | P05771 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | LYN | P07948 | 1/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | RPS6KA3 | P51812 | 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 | |
|---|---|---|---|---|
| SCHEMBL29827219 | 0.88 | KCNH2 (0.52) | DRD2CA12CA1CA2CA9 | |
| SCHEMBL24936185 | 0.88 | KCNH2 (0.52) | DRD2CA12CA1CA2CA9 | |
| SCHEMBL18955276 | 0.86 | CYP1A2 (0.43) | CYP1A2CYP19A1CYP2C9CYP2C19MTNR1A | |
| SCHEMBL24936246 | 0.83 | KCNH2 (0.43) | DRD2CA12CA1CA2CA9 | |
| SCHEMBL3514820 | 0.79 | MTNR1A (0.61) | DRD2SCN9ACA12CA1CA2 | |
| SCHEMBL30773715 | 0.78 | DRD2 (0.52) | DRD2SCN9ACA12CA1CA2 | |
| SCHEMBL1978348 | 0.77 | DRD2 (0.51) | DRD2SCN9ACA12CA1CA2 | |
| SCHEMBL22642707 | 0.77 | DRD2 (0.51) | DRD2SCN9ACA12CA1CA2 | |
| SCHEMBL19007838 | 0.76 | KCNH2 (0.51) | DRD2SCN9ACA12CA1CA2 | |
| SCHEMBL27380365 | 0.76 | DRD2 (0.50) | DRD2SCN9ACA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3389660-B1 | COMBINATION THERAPY FOR CANCER | LILLY CO ELI (US) | 2019-10-16 | — | — | EP | disclosed |
| WO-2017105982-A1 | COMBINATION THERAPY FOR CANCER | ELI LILLY AND COMPANY (US) | 2017-06-22 | — | — | WO | disclosed |