Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKE | Q14164 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 5/20 | 0.34 |
| ▸ | CA1 | P00915 | 5/20 | 0.34 |
| ▸ | CA2 | P00918 | 5/20 | 0.34 |
| ▸ | CA4 | P22748 | 5/20 | 0.34 |
| ▸ | CA9 | Q16790 | 5/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | XIAP | P98170 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 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 | |
|---|---|---|---|---|
| SCHEMBL24610309 | 0.88 | IKBKE (0.39) | IKBKEAURKBTBK1BRD4PTGES | |
| SCHEMBL24094286 | 0.85 | IKBKE (0.36) | IKBKEAURKBTBK1PTGESCA12 | |
| SCHEMBL21217865 | 0.82 | MEN1 (0.43) | IKBKEAURKBTBK1 | |
| SCHEMBL22966756 | 0.79 | MEN1 (0.44) | — | |
| SCHEMBL10271069 | 0.77 | CARM1 (0.46) | BRD4CA12CA1CA2CA4 | |
| SCHEMBL4974356 | 0.74 | ALDH1A1 (0.44) | BRD4CA12CA1CA2CA4 | |
| SCHEMBL24610300 | 0.72 | JAK2 (0.34) | SMN1; SMN2 | |
| SCHEMBL24610274 | 0.72 | HTR1D (0.32) | HSD17B10CYP1A2TP53 | |
| SCHEMBL24094128 | 0.70 | PLG (0.34) | HSD17B10CYP1A2TP53 | |
| SCHEMBL21217755 | 0.69 | MEN1 (0.44) | AURKB |
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-2019145729-A1 | HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE | REDX PHARMA PLC (GB) | 2019-08-01 | — | — | WO | disclosed |