Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.38 |
| ▸ | AURKA | O14965 | 2/20 | 0.38 |
| ▸ | GRK2 | P25098 | 1/20 | 0.38 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.37 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.37 |
| ▸ | FPR1 | P21462 | 1/20 | 0.36 |
| ▸ | FPR3 | P25089 | 1/20 | 0.36 |
| ▸ | FPR2 | P25090 | 1/20 | 0.36 |
| ▸ | CMA1 | P23946 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | NPBWR1 | P48145 | 2/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | EDNRB | P24530 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4447384 | 0.90 | PKM (0.37) | PKMALDH1A1GAAROCK1AURKA | |
| SCHEMBL4451133 | 0.74 | PKM (0.42) | PKMALDH1A1GAAROCK1AURKA | |
| SCHEMBL4255683 | 0.73 | PKM (0.47) | PKMALDH1A1GAAROCK1AURKA | |
| SCHEMBL4257238 | 0.73 | PKM (0.41) | PKMALDH1A1GAAHCAR3FPR1 | |
| SCHEMBL13608163 | 0.73 | PKM (0.41) | PKMALDH1A1GAAHCAR3FPR1 | |
| SCHEMBL4447381 | 0.69 | PKM (0.37) | PKMALDH1A1GAAROCK1AURKA | |
| SCHEMBL4257247 | 0.66 | PKM (0.42) | PKMALDH1A1GAAROCK1AURKA | |
| SCHEMBL1491056 | 0.64 | MEN1 (0.57) | PKMALDH1A1GAACMA1 | |
| SCHEMBL28820178 | 0.64 | SIGMAR1 (0.49) | PKMALDH1A1GAAHCAR3CMA1 | |
| SCHEMBL4257569 | 0.62 | ALDH1A1 (0.51) | ALDH1A1NPBWR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8481537-B2 | Caspase inhibitors based of pyridazinone scaffold | LG LIFE SCIENCES LTD. (KR) | 2013-07-09 | — | — | US | disclosed |
| EP-2046757-A1 | CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD | LG Life Sciences Ltd. (KR) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008016239-A1 | CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD | LG LIFE SCIENCES LTD. (KR) | 2008-02-07 | — | — | WO | disclosed |