Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 14/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 13/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.37 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.37 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL28949575 | 0.85 | GRIN2B (0.47) | GRIN2BGRIN1MAPTSMN1; SMN2KCNH2 | |
| SCHEMBL28825538 | 0.84 | GRIN2B (0.48) | GRIN2BGRIN1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL27068818 | 0.81 | GRIN1 (0.47) | GRIN2BGRIN1MAPTSMN1; SMN2 | |
| SCHEMBL28825447 | 0.79 | GRIN2B (0.50) | GRIN2BGRIN1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL28931687 | 0.79 | GRIN2B (0.48) | GRIN2BGRIN1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL28949591 | 0.78 | ALDH1A1 (0.44) | GRIN2BGRIN1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL28825456 | 0.77 | MAPT (0.56) | GRIN2BGRIN1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL28825507 | 0.76 | SMN1; SMN2 (0.45) | GRIN2BGRIN1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL28825585 | 0.76 | KDM4E (0.46) | GRIN2BGRIN1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL28825544 | 0.76 | MAPT (0.41) | GRIN2BGRIN1MAPTSMN1; SMN2KDM4E |
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 |