Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 1/20 | 0.51 |
| ▸ | GSK3B | P49841 | 1/20 | 0.51 |
| ▸ | CAMKK2 | Q96RR4 | 2/20 | 0.47 |
| ▸ | PLK4 | O00444 | 2/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 4/20 | 0.44 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.43 |
| ▸ | MINK1 | Q8N4C8 | 3/20 | 0.43 |
| ▸ | TNIK | Q9UKE5 | 2/20 | 0.43 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.43 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.43 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.42 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30007902 | 0.87 | GSK3A (0.46) | GSK3AGSK3BCAMKK2PRKAG1PRKAA1 | |
| SCHEMBL30007560 | 0.78 | CA12 (0.43) | GSK3AGSK3BMAP4K1PRKAG1PRKAA1 | |
| Hydrochloric Acid SCHEMBL30007736 | 0.78 | CAMKK2 (0.57) | CAMKK2PIK3CACYP2C9CYP2C19DYRK1B | |
| SCHEMBL4543514 | 0.76 | MAP4K4 (0.52) | MAP4K4MINK1TNIKFYNKCNH2 | |
| SCHEMBL21225904 | 0.73 | MAP2K4 (0.76) | MAP2K4CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL30008041 | 0.72 | CDK5 (0.44) | CAMKK2MAP4K4MAP4K1MINK1TNIK | |
| SCHEMBL29623025 | 0.72 | HCAR2 (0.40) | PRKAG1PRKAA1PRKAB1MAP2K4MAPK1 | |
| SCHEMBL21277005 | 0.72 | HCAR2 (0.40) | PRKAG1PRKAA1PRKAB1MAP2K4MAPK1 | |
| SCHEMBL30007360 | 0.71 | AXL (0.72) | CAMKK2PIK3CACYP2C9CYP2C19DYRK1B | |
| SCHEMBL31072245 | 0.70 | MAP2K4 (0.47) | GSK3AGSK3BCAMKK2MAP2K4CYP2C9 |
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-2022237922-A1 | ANTITUMOR COMPOUNDS BASED ON NITROGEN HETEROCYCLES AND USE THEREOF AS MEDICAMENTS | FAKULTNI NEMOCNICE HRADEC KRALOVE (CZ) | 2022-11-17 | — | — | WO | disclosed |