Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKE | Q14164 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.36 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 2/20 | 0.32 |
| ▸ | ACACA | Q13085 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 4/20 | 0.32 |
| ▸ | CA1 | P00915 | 4/20 | 0.32 |
| ▸ | CA2 | P00918 | 4/20 | 0.32 |
| ▸ | CA4 | P22748 | 4/20 | 0.32 |
| ▸ | CA9 | Q16790 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL24610309 | 0.97 | IKBKE (0.39) | IKBKEAURKBTBK1PTGESSLC2A1 | |
| SCHEMBL24610274 | 0.86 | HTR1D (0.32) | HSD17B10TP53CYP1A2 | |
| SCHEMBL21217769 | 0.85 | IKBKE (0.41) | IKBKEAURKBTBK1PTGESSLC2A1 | |
| SCHEMBL24610300 | 0.85 | JAK2 (0.34) | ACACBACACAJAK2SYKSMN1; SMN2 | |
| SCHEMBL22967237 | 0.84 | CYP1A2 (0.43) | ALDH1A1HSD17B10HPGDSMN1; SMN2MAPT | |
| SCHEMBL24094128 | 0.83 | PLG (0.34) | HSD17B10TP53CHEK2CYP1A2 | |
| SCHEMBL24094162 | 0.82 | CTDSP1 (0.39) | TBK1ALDH1A1NPSR1HSD17B10HPGD | |
| SCHEMBL22966756 | 0.79 | MEN1 (0.44) | — | |
| SCHEMBL24094118 | 0.77 | PRMT5 (0.41) | IKBKEAURKBSMN1; SMN2MAPTCHEK2 | |
| SCHEMBL21217865 | 0.77 | MEN1 (0.43) | IKBKEAURKBTBK1 |
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-3743420-B1 | HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE | REDX PHARMA PLC (GB) | 2021-12-15 | — | — | EP | disclosed |