Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | PAK1 | Q13153 | 13/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8271768 | 0.88 | PAK1 (0.49) | HPGDSPAK1CNR2GRIN2BCYP2D6 | |
| SCHEMBL14349470 | 0.88 | PAK1 (0.49) | HPGDSPAK1CA12CA1CA2 | |
| SCHEMBL8271758 | 0.88 | PAK1 (0.49) | HPGDSPAK1CA12CA1CA2 | |
| SCHEMBL5657638 | 0.88 | HPGDS (0.47) | HPGDSPAK1CNR2GRIN2B | |
| SCHEMBL4310748 | 0.88 | HPGDS (0.47) | HPGDSPAK1CNR2GRIN2B | |
| SCHEMBL5663028 | 0.86 | HPGDS (0.49) | HPGDSPAK1GRIN2BCYP2D6KCNH2 | |
| SCHEMBL14349391 | 0.86 | PAK1 (0.48) | HPGDSPAK1CYP2D6 | |
| SCHEMBL14349390 | 0.86 | GRIN2B (0.52) | HPGDSPAK1CNR2GRIN2BCYP2D6 | |
| SCHEMBL14349392 | 0.83 | ABL1 (0.49) | HPGDSPAK1CNR2GRIN2BCYP2D6 | |
| SCHEMBL14349389 | 0.81 | CASP3 (0.50) | HPGDSPAK1 |
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-2006017409-A2 | 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2006-02-16 | — | — | WO | disclosed |