Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.46 |
| ▸ | NEK2 | P51955 | 1/20 | 0.46 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | EP300 | Q09472 | 1/20 | 0.40 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.40 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.40 |
| ▸ | EDNRA | P25101 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30575762 | 0.89 | CHEK1 (0.50) | CYP1A2CYP2C19HTTHIF1ATDP1 | |
| SCHEMBL10067121 | 0.84 | CYP1A2 (0.53) | CYP1A2CYP2C19HTTHIF1ATDP1 | |
| SCHEMBL14196713 | 0.81 | CYP1A2 (0.46) | CYP1A2CYP2C19HTTHIF1ATDP1 | |
| SCHEMBL13486826 | 0.80 | CHEK1 (0.48) | CYP1A2CYP2C19HTTHIF1ATDP1 | |
| SCHEMBL5224493 | 0.79 | AR (0.39) | CHEK1NEK2LIMK1DYRK1ACLK4 | |
| SCHEMBL12703140 | 0.78 | CHEK1 (0.47) | CYP1A2CYP2C19HTTHIF1ATDP1 | |
| SCHEMBL28183541 | 0.78 | GAA (0.39) | CYP1A2CYP2C19HTTHIF1ATDP1 | |
| SCHEMBL8720110 | 0.78 | CHEK1 (0.65) | CYP1A2CYP2C19HTTHIF1ATDP1 | |
| SCHEMBL30575772 | 0.78 | CHEK1 (0.47) | CYP1A2CYP2C19HTTHIF1ATDP1 | |
| SCHEMBL28184388 | 0.77 | GAA (0.38) | CYP1A2CYP2C19HTTHIF1ATDP1 |
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-2020118194-A1 | NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2020-06-11 | — | — | WO | disclosed |