Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.58 |
| ▸ | NEK2 | P51955 | 1/20 | 0.58 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.58 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.58 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | MET | P08581 | 4/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL14074040 | 0.83 | PTGS2 (0.62) | MEN1KMT2AALDH1A1LMNAMET | |
| SCHEMBL21352406 | 0.81 | MET (0.46) | CHEK1NEK2LIMK1TYRO3CLK4 | |
| SCHEMBL13561689 | 0.78 | MET (0.74) | CHEK1NEK2LIMK1TYRO3CLK4 | |
| SCHEMBL23297296 | 0.78 | MEN1 (0.67) | CHEK1NEK2LIMK1TYRO3CLK4 | |
| SCHEMBL18772418 | 0.77 | CHEK1 (0.64) | CHEK1NEK2LIMK1TYRO3CLK4 | |
| SCHEMBL15815278 | 0.76 | CLK4 (0.56) | CHEK1NEK2LIMK1TYRO3CLK4 | |
| SCHEMBL26628960 | 0.76 | MEN1 (0.64) | CHEK1NEK2LIMK1TYRO3CLK4 | |
| SCHEMBL26629589 | 0.76 | MAPT (0.72) | CHEK1NEK2LIMK1TYRO3CLK4 | |
| SCHEMBL15445159 | 0.76 | MET (0.67) | CHEK1NEK2LIMK1TYRO3CLK4 | |
| SCHEMBL14679381 | 0.75 | GAA (0.46) | CHEK1NEK2LIMK1TYRO3CLK4 |
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-2016127024-A1 | PYRIDAZINONE MACROCYCLES AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2016-08-11 | — | — | WO | disclosed |