Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 8/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | PAK1 | Q13153 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.32 |
| ▸ | MERTK | Q12866 | 1/20 | 0.32 |
| ▸ | GAS6 | Q14393 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5003378 | 0.87 | PAK1 (0.53) | GRIN2BKCNH2PAK1HPGDSCYP2D6 | |
| SCHEMBL5003379 | 0.87 | PAK1 (0.53) | GRIN2BKCNH2PAK1HPGDSCYP2D6 | |
| SCHEMBL14010143 | 0.87 | PAK1 (0.53) | GRIN2BKCNH2PAK1HPGDSCYP2D6 | |
| SCHEMBL5822665 | 0.82 | CYP1A2 (0.41) | GRIN2BPAK1HPGDSUTS2RROCK2 | |
| SCHEMBL5795857 | 0.81 | PAK1 (0.38) | GRIN2BKCNH2PAK1HTR2AHPGDS | |
| SCHEMBL8292777 | 0.81 | GRIN2B (0.52) | GRIN2BKCNH2PAK1HPGDSCYP2D6 | |
| Hydrochloric Acid SCHEMBL5797699 | 0.77 | ROCK2 (0.37) | GRIN2BKCNH2UTS2RROCK2ROCK1 | |
| SCHEMBL5003519 | 0.76 | PAK1 (0.54) | GRIN2BKCNH2PAK1HPGDSCYP2D6 | |
| SCHEMBL5003522 | 0.76 | PAK1 (0.54) | GRIN2BKCNH2PAK1HPGDSCYP2D6 | |
| SCHEMBL14010147 | 0.76 | PAK1 (0.54) | GRIN2BKCNH2PAK1HPGDSCYP2D6 |
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-2005019222-A1 | 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2005-03-03 | — | — | WO | disclosed |