Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.41 |
| ▸ | TBK1 | Q9UHD2 | 4/20 | 0.41 |
| ▸ | IKBKE | Q14164 | 2/20 | 0.41 |
| ▸ | EHMT2 | Q96KQ7 | 5/20 | 0.39 |
| ▸ | EHMT1 | Q9H9B1 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | GPR6 | P46095 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16135296 | 1.00 | HRH4 (0.41) | HRH4TBK1IKBKEEHMT2EHMT1 | |
| SCHEMBL17750626 | 0.95 | ACHE (0.39) | TBK1IKBKECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17750240 | 0.88 | TBK1 (0.38) | HRH4TBK1IKBKEEHMT2EHMT1 | |
| SCHEMBL21279021 | 0.87 | PDE10A (0.38) | TBK1IKBKECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL16091613 | 0.87 | PDE10A (0.38) | TBK1IKBKECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17750293 | 0.87 | TBK1 (0.43) | HRH4TBK1IKBKEEHMT2EHMT1 | |
| SCHEMBL17750530 | 0.86 | SYK (0.39) | TBK1IKBKEGPR6PDE10ASYK | |
| SCHEMBL21179460 | 0.86 | TBK1 (0.39) | HRH4TBK1IKBKEEHMT2EHMT1 | |
| SCHEMBL21187294 | 0.86 | TBK1 (0.39) | HRH4TBK1IKBKEEHMT2EHMT1 | |
| SCHEMBL17750362 | 0.86 | TTK (0.38) | TBK1IKBKEGPR6PDE10ASYK |
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-2970218-B1 | DNA-PK INHIBITORS | VERTEX PHARMA (US) | 2018-11-28 | — | — | EP | disclosed |