Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK4 | Q9HAZ1 | 11/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 11/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.46 |
| ▸ | USP2 | O75604 | 5/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.43 |
| ▸ | TSHR | P16473 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 5/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ABL1 | P00519 | 4/20 | 0.40 |
| ▸ | BCR | P11274 | 4/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15356521 | 0.91 | CYP1A2 (0.47) | CLK4CYP1A2CYP3A4CYP2D6USP2 | |
| SCHEMBL19355397 | 0.89 | CYP1A2 (0.44) | CLK4CYP1A2CYP3A4CYP2D6USP2 | |
| SCHEMBL16660255 | 0.89 | CYP1A2 (0.49) | CLK4CYP1A2CYP3A4CYP2D6USP2 | |
| SCHEMBL19355070 | 0.88 | CLK4 (0.42) | CLK4CYP1A2CYP3A4CYP2D6USP2 | |
| SCHEMBL19355388 | 0.88 | CYP1A2 (0.44) | CLK4CYP1A2CYP3A4CYP2D6USP2 | |
| SCHEMBL19355269 | 0.87 | CYP1A2 (0.42) | CLK4CYP1A2CYP3A4CYP2D6USP2 | |
| SCHEMBL19905107 | 0.86 | CYP1A2 (0.47) | CLK4CYP1A2CYP3A4CYP2D6USP2 | |
| SCHEMBL20373455 | 0.86 | CYP1A2 (0.42) | CLK4CYP1A2CYP3A4CYP2D6USP2 | |
| SCHEMBL19355457 | 0.86 | HIF1A (0.43) | CLK4CYP1A2CYP3A4CYP2D6USP2 | |
| SCHEMBL19355069 | 0.86 | CYP1A2 (0.42) | CLK4CYP1A2CYP3A4CYP2D6USP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3057959-B1 | DNA-PK INHIBITORS | VERTEX PHARMA (US) | 2018-02-28 | — | — | EP | disclosed |