Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | NEK2 | P51955 | 1/20 | 0.40 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | EP300 | Q09472 | 1/20 | 0.35 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.35 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL226938 | 0.81 | CHEK1 (0.42) | CHEK1NEK2LIMK1DYRK1ACLK4 | |
| SCHEMBL249747 | 0.75 | CHEK1 (0.44) | CHEK1NEK2LIMK1DYRK1ACLK4 | |
| SCHEMBL8720110 | 0.72 | CHEK1 (0.65) | CHEK1NEK2LIMK1DYRK1ACLK4 | |
| SCHEMBL29387016 | 0.65 | SIGMAR1 (0.48) | CHEK1NEK2LIMK1DYRK1ACLK4 | |
| SCHEMBL27737084 | 0.65 | SIGMAR1 (0.63) | CHEK1NEK2LIMK1DYRK1ACLK4 | |
| SCHEMBL2349 | 0.65 | SIGMAR1 (0.63) | CHEK1NEK2LIMK1DYRK1ACLK4 | |
| SCHEMBL29364795 | 0.65 | SIGMAR1 (0.63) | CHEK1NEK2LIMK1DYRK1ACLK4 | |
| SCHEMBL29555314 | 0.65 | SIGMAR1 (0.63) | CHEK1NEK2LIMK1DYRK1ACLK4 | |
| SCHEMBL8315877 | 0.64 | CA2 (0.30) | CA2 | |
| Hydrogen Sulfide SCHEMBL3359211 | 0.63 | SIGMAR1 (0.61) | CHEK1NEK2LIMK1DYRK1ACLK4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0796250-A1 | PYRIDAZINONES AS ENDOTHELIN-RECEPTOR ANTAGONISTS | MERCK PATENT GmbH (DE) | 1997-09-24 | — | — | EP | disclosed |
| WO-1997013758-A1 | PYRIDAZINONES AS ENDOTHELIN-RECEPTOR ANTAGONISTS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1997-04-17 | — | — | WO | disclosed |