Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | IDO1 | P14902 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | DPP4 | P27487 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 4/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 2/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | ABL2 | P42684 | 1/20 | 0.32 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.31 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.31 |
| ▸ | JAK3 | P52333 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2507230 | 0.75 | USP2 (0.41) | CYP2C9IDO1KCNH2DRD2DRD3 | |
| SCHEMBL31030883 | 0.74 | IDO1 (0.45) | CYP2C9IDO1KCNH2 | |
| SCHEMBL27929032 | 0.70 | DPP4 (0.58) | DPP4PARP1SYKDPP8 | |
| SCHEMBL30121941 | 0.64 | PARP1 (0.40) | DPP4PARP1 | |
| SCHEMBL31196366 | 0.63 | USP2 (0.49) | CYP2C9IDO1KCNH2DRD2USP2 | |
| SCHEMBL24932847 | 0.62 | DRD2 (0.38) | CYP2C9IDO1KCNH2DPP4DRD2 | |
| SCHEMBL28284464 | 0.62 | PIK3C3 (0.44) | PARP1SYKPIK3C3BTK | |
| SCHEMBL31196498 | 0.61 | MKNK1 (0.47) | CYP2C9IDO1KCNH2DRD2USP2 | |
| SCHEMBL31196386 | 0.61 | MKNK1 (0.47) | CYP2C9IDO1KCNH2DRD2USP2 | |
| SCHEMBL30843989 | 0.58 | SLC9A1 (0.42) | DPP4PARP1DPP8 |
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-2023004291-A1 | CORONAVIRUS MAIN PROTEASE INHIBITORS AND METHODS USING SAME | BAYLOR COLLEGE OF MEDICINE (US) | 2023-01-26 | — | — | WO | disclosed |