Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 4/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 3/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
| ▸ | PRKACG | P22612 | 1/20 | 0.35 |
| ▸ | PRKACB | P22694 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
| ▸ | KLK7 | P49862 | 1/20 | 0.35 |
| ▸ | TRPV3 | Q8NET8 | 2/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28825615 | 0.92 | GRIN2B (0.46) | GRIN2BGRIN1KLKB1BRD4PRKACA | |
| SCHEMBL28825565 | 0.80 | GRIN2B (0.43) | GRIN2BGRIN1KLKB1CYP11B1CYP11B2 | |
| SCHEMBL28825573 | 0.76 | GRIN2B (0.41) | GRIN2BGRIN1KLKB1CYP11B1CYP11B2 | |
| SCHEMBL28825642 | 0.74 | GRIN2B (0.46) | GRIN2BGRIN1PDE4B | |
| SCHEMBL28825445 | 0.72 | GRIN2B (0.51) | GRIN2BGRIN1KLKB1 | |
| SCHEMBL28825476 | 0.72 | GRIN2B (0.49) | GRIN2BGRIN1ALDH1A1LMNAPDE4B | |
| SCHEMBL31172834 | 0.72 | GAA (0.51) | KLKB1BRD4PDE4BCA12CA1 | |
| SCHEMBL28825546 | 0.71 | GRIN2B (0.53) | GRIN2BGRIN1CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL28825448 | 0.70 | GAA (0.47) | GRIN2BGRIN1KLKB1CYP11B1CYP11B2 | |
| SCHEMBL28825653 | 0.70 | GAA (0.44) | GRIN2BGRIN1KLKB1CYP11B1CYP11B2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114007610-A | Substituted heteroaromatic pyrazolopyridines and their use as modulators of the GLUN2B receptor | 詹森药业有限公司 | 2022-02-01 | — | — | CN | claimed |
| CN-114007610-A | Substituted heteroaromatic pyrazolopyridines and their use as modulators of the GLUN2B receptor | 詹森药业有限公司 | 2022-02-01 | — | — | CN | disclosed |