Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK9 | P45984 | 1/20 | 0.46 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.46 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | RET | P07949 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3028496 | 0.71 | GABRA5 (0.43) | MAPK9MAPK10MAPK11MAPK14MAP4K4 | |
| SCHEMBL1874520 | 0.70 | MAPK14 (0.60) | MAPK9MAPK10MAPK11MAPK14HSP90AA1 | |
| SCHEMBL13910999 | 0.70 | HSP90AA1 (0.50) | MAPK9MAPK10MAPK11MAPK14MAP4K4 | |
| SCHEMBL1876030 | 0.69 | MAPK14 (0.75) | MAPK9MAPK10MAPK11MAPK14MAP4K4 | |
| SCHEMBL1880417 | 0.68 | MAPK14 (0.65) | MAPK9MAPK10MAPK11MAPK14 | |
| SCHEMBL1778905 | 0.68 | GABRA5 (0.54) | MAPK9MAPK10MAPK11MAPK14GABRA5 | |
| SCHEMBL1777145 | 0.68 | GABRA5 (0.48) | MAPK9MAPK10MAPK11MAPK14ALDH1A1 | |
| SCHEMBL1877430 | 0.67 | MAPK14 (0.56) | MAPK9MAPK10MAPK11MAPK14CYP1A2 | |
| SCHEMBL30595872 | 0.67 | HSP90AA1 (0.52) | MAPK9MAPK10MAPK11MAPK14MAP4K4 | |
| SCHEMBL2814353 | 0.67 | HSP90AA1 (0.52) | MAPK9MAPK10MAPK11MAPK14MAP4K4 |
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-2019217421-A1 | SMALL MOLECULE INHIBITORS OF CDK12/CDK13 | THE SCRIPPS RESEARCH INSTITUTE (US) | 2019-11-14 | — | — | WO | disclosed |