Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 9/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28525148 | 0.79 | NFE2L2 (0.40) | NFE2L2NPC1RAB9ACYP1A2MEN1 | |
| SCHEMBL28825528 | 0.77 | NPC1 (0.53) | NFE2L2NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL28825515 | 0.76 | GRIN1 (0.38) | NFE2L2KMT2AFBP1 | |
| SCHEMBL28949583 | 0.76 | GRIN2B (0.36) | NFE2L2GRM5GRM4PTGS1PTGS2 | |
| SCHEMBL3300301 | 0.74 | NFE2L2 (0.71) | NFE2L2NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL28825536 | 0.74 | GRIN2B (0.37) | — | |
| SCHEMBL28825541 | 0.71 | GRIN2B (0.40) | — | |
| SCHEMBL31506737 | 0.70 | NFE2L2 (0.49) | NFE2L2NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL5537187 | 0.69 | NFE2L2 (0.47) | NFE2L2NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL28825493 | 0.69 | GRIN1 (0.36) | GRM4PTGS1PTGS2 |
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 |