Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.60 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.49 |
| ▸ | PAK1 | Q13153 | 10/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 6/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14621425 | 0.84 | HPGDS (0.67) | HPGDSPDPK1PAK1GRIN2BKCNH2 | |
| SCHEMBL8291816 | 0.84 | HPGDS (0.67) | HPGDSPDPK1PAK1GRIN2BKCNH2 | |
| SCHEMBL14036208 | 0.79 | HPGDS (0.68) | HPGDSPDPK1PAK1GRIN2BKCNH2 | |
| SCHEMBL8291809 | 0.76 | HPGDS (1.00) | HPGDSPDPK1PAK1GRIN2BKCNH2 | |
| SCHEMBL8291844 | 0.75 | HPGDS (0.75) | HPGDSPDPK1PAK1GRIN2BKCNH2 | |
| SCHEMBL8291817 | 0.75 | HPGDS (0.97) | HPGDSPDPK1PAK1GRIN2BKCNH2 | |
| SCHEMBL8293592 | 0.73 | SLC29A1 (0.50) | HPGDSPAK1GRIN2BKCNH2CYP2D6 | |
| SCHEMBL8293452 | 0.73 | SLC29A1 (0.50) | HPGDSPAK1GRIN2BKCNH2CYP2D6 | |
| SCHEMBL8293768 | 0.73 | SLC29A1 (0.50) | HPGDSPAK1GRIN2BKCNH2CYP2D6 | |
| SCHEMBL8291847 | 0.73 | SLC29A1 (0.50) | HPGDSPAK1GRIN2BKCNH2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-7452893-B2 | 4-cycloakylaminopyrazolo pyrimidine NMDA/NR2B antagonists | MERCK & CO., INC. (US) | 2008-11-18 | — | — | US | disclosed |