Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL900129 | 0.81 | BRD4 (0.45) | BRD4CYP17A1PARP1AURKAJAK2 | |
| SCHEMBL20365106 | 0.79 | BRD4 (0.43) | BRD4CYP17A1PARP1AURKAJAK2 | |
| SCHEMBL20878376 | 0.76 | BRD4 (0.56) | BRD4PARP1AURKAJAK2RPS6KA2 | |
| SCHEMBL903206 | 0.74 | BRD4 (0.52) | BRD4PARP1DPP4ABL1DRD4 | |
| SCHEMBL903194 | 0.72 | CYP17A1 (0.50) | BRD4CYP17A1 | |
| SCHEMBL900109 | 0.70 | CYP17A1 (0.48) | BRD4CYP17A1PARP1AURKAJAK2 | |
| SCHEMBL27151824 | 0.70 | PARP1 (0.42) | BRD4PARP1AURKAJAK2RPS6KA2 | |
| SCHEMBL15159073 | 0.70 | SLC22A12 (0.53) | BRD4PARP1 | |
| SCHEMBL900402 | 0.69 | BRD4 (0.58) | BRD4AURKAJAK2RPS6KA2ABL1 | |
| SCHEMBL763087 | 0.69 | PARP1 (0.50) | BRD4PARP1DRD4DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| US-9944619-B2 | Compounds for the treatment of HIV | GILEAD SCIENCES, INC. (US) | 2018-04-17 | — | — | US | disclosed |