Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.35 |
| ▸ | KIT | P10721 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.31 |
| ▸ | RAF1 | P04049 | 2/20 | 0.31 |
| ▸ | BRAF | P15056 | 2/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8166422 | 0.88 | PTK2 (0.35) | PTK2KITTHRBPOLBLMNA | |
| SCHEMBL8179482 | 0.81 | PTK2 (0.40) | PTK2ROCK2RAF1BRAFRPS6KB1 | |
| SCHEMBL8166309 | 0.80 | THRB (0.39) | TDO2PTK2KITTHRBPOLB | |
| SCHEMBL8166429 | 0.80 | POLB (0.41) | PTK2KITTHRBPOLBLMNA | |
| SCHEMBL8166917 | 0.80 | ROCK1 (0.44) | PTK2KITTHRBPOLBLMNA | |
| SCHEMBL8171335 | 0.71 | ROCK1 (0.46) | PTK2ROCK2GSK3BAURKB | |
| SCHEMBL8174088 | 0.69 | ROCK1 (0.47) | ROCK2 | |
| SCHEMBL8173430 | 0.68 | ROCK1 (0.39) | ROCK2 | |
| SCHEMBL8166227 | 0.68 | ROCK1 (0.44) | ROCK2 | |
| SCHEMBL8173845 | 0.67 | PTK2 (0.41) | PTK2ROCK2RAF1BRAFRPS6KB1 |
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-2155728-B1 | HETEROCYCLIC INDAZOLE DERIVATIVES | MERCK PATENT GMBH (DE) | 2015-07-29 | — | — | EP | disclosed |