Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 10/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 8/20 | 0.42 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KLK7 | P49862 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL28825445 | 0.93 | GRIN2B (0.51) | GRIN2BGRIN1KLKB1 | |
| SCHEMBL28949569 | 0.84 | GRIN2B (0.38) | GRIN2BGRIN1KLKB1GAAMAPT | |
| SCHEMBL28825483 | 0.81 | GRIN2B (0.44) | GRIN2BGRIN1 | |
| SCHEMBL28825573 | 0.80 | GRIN2B (0.41) | GRIN2BCYP11B1CYP11B2GRIN1KLKB1 | |
| SCHEMBL28825549 | 0.80 | GRIN2B (0.40) | GRIN2BCYP11B1CYP11B2GRIN1NSD2 | |
| SCHEMBL28825653 | 0.76 | GAA (0.44) | GRIN2BCYP11B1CYP11B2GRIN1KLKB1 | |
| SCHEMBL28825448 | 0.74 | GAA (0.47) | GRIN2BCYP11B1CYP11B2GRIN1KLKB1 | |
| SCHEMBL28825615 | 0.74 | GRIN2B (0.46) | GRIN2BGRIN1KLKB1BRD4NPC1 | |
| SCHEMBL28825510 | 0.70 | GRIN2B (0.52) | GRIN2BGRIN1KLKB1GAAMAPT | |
| SCHEMBL1457252 | 0.69 | GAA (0.51) | KLKB1GAAMAPTLMNA |
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 |