Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 2/20 | 0.97 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | PAK1 | Q13153 | 9/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.53 |
| ▸ | EGFR | P00533 | 1/20 | 0.51 |
| ▸ | JAK2 | O60674 | 2/20 | 0.51 |
| ▸ | JAK1 | P23458 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8291809 | 0.98 | HPGDS (1.00) | HPGDSPDPK1LMNAHTTPKM | |
| SCHEMBL17545958 | 0.86 | HPGDS (0.76) | HPGDSPDPK1PAK1CYP2D6KCNH2 | |
| SCHEMBL8291844 | 0.84 | HPGDS (0.75) | HPGDSPDPK1PAK1CYP2D6KCNH2 | |
| SCHEMBL17545860 | 0.84 | HPGDS (0.74) | HPGDSPDPK1PAK1CYP2D6KCNH2 | |
| SCHEMBL10227663 | 0.84 | HPGDS (0.74) | HPGDSPDPK1PAK1CYP2D6KCNH2 | |
| SCHEMBL8293284 | 0.83 | HPGDS (0.73) | HPGDSPDPK1PAK1CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL17527433 | 0.83 | HPGDS (0.72) | HPGDSPDPK1PAK1CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL17527432 | 0.83 | HPGDS (0.72) | HPGDSPDPK1PAK1CYP2D6KCNH2 | |
| SCHEMBL6128742 | 0.82 | HPGDS (0.71) | HPGDSPDPK1LMNAPAK1CYP2D6 | |
| SCHEMBL17546631 | 0.81 | HPGDS (0.68) | HPGDSPAK1CYP2D6KCNH2GRIN2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1656379-B1 | 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005019221-A1 | 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2005-03-03 | — | — | WO | disclosed |
| WO-2005019222-A1 | 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2005-03-03 | — | — | WO | disclosed |