Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.39 |
| ▸ | PRKACA | P17612 | 1/20 | 0.39 |
| ▸ | PRKACG | P22612 | 1/20 | 0.39 |
| ▸ | PRKACB | P22694 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 6/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28825653 | 0.91 | GAA (0.44) | GAAMAPTCYP11B1CYP11B2GRIN2B | |
| SCHEMBL28825510 | 0.90 | GRIN2B (0.52) | GAAMAPTGRIN2BKLKB1GRIN1 | |
| SCHEMBL28825588 | 0.89 | GAA (0.50) | GAAMAPTGRIN2BCA12CA1 | |
| SCHEMBL28825562 | 0.89 | GAA (0.52) | GAAMAPTGRIN2BCA12CA1 | |
| SCHEMBL28931688 | 0.88 | KCNH2 (0.45) | GAAMAPTGRIN2BGRIN1 | |
| SCHEMBL28949563 | 0.86 | PDE4B (0.46) | GAAMAPTGRIN2BGRIN1PDE4B | |
| SCHEMBL28949576 | 0.85 | KCNH2 (0.49) | GRIN2BGRIN1PDE4B | |
| SCHEMBL28825498 | 0.85 | KCNH2 (0.48) | GAAMAPTGRIN2BKLKB1GRIN1 | |
| SCHEMBL28825473 | 0.84 | GAA (0.46) | GAAMAPTGRIN2BCA12CA1 | |
| SCHEMBL28825487 | 0.84 | GRIN2B (0.51) | GAAMAPTGRIN2BKLKB1GRIN1 |
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 |