Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.48 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.48 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.48 |
| ▸ | BRD4 | O60885 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.44 |
| ▸ | FEN1 | P39748 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.41 |
| ▸ | QPCT | Q16769 | 1/20 | 0.41 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18363125 | 0.87 | BRD4 (0.49) | PIK3C3BRD4ALOX5APFEN1GRIN1 | |
| SCHEMBL21611133 | 0.83 | BRD4 (0.49) | PIK3C3PDGFRBPDGFRABRD4ALOX5AP | |
| SCHEMBL18363124 | 0.83 | AXL (0.54) | PIK3C3PDGFRBPDGFRABRD4ALOX5AP | |
| SCHEMBL23600955 | 0.83 | BRD4 (0.52) | PIK3C3BRD4BCHEACHEIDO1 | |
| SCHEMBL28214614 | 0.82 | CDK8 (0.47) | PIK3C3BRD4GRIN1GRIN2B | |
| SCHEMBL28214577 | 0.81 | PIK3C3 (0.48) | PIK3C3PDGFRBPDGFRABRD4ALOX5AP | |
| SCHEMBL28215216 | 0.79 | IDO1 (0.48) | PIK3C3BRD4IDO1GRIN2B | |
| SCHEMBL24721353 | 0.79 | CDK8 (0.50) | PIK3C3PDGFRBPDGFRABRD4ALOX5AP | |
| SCHEMBL23227938 | 0.79 | QPCT (0.60) | BRD4IDO1ALOX5APFEN1QPCT | |
| SCHEMBL29804939 | 0.79 | QPCT (0.60) | BRD4IDO1ALOX5APFEN1QPCT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108026094-A | Substituted 4-azaindoles and their use as modulators of the G L UN2B receptor | 詹森药业有限公司 | 2018-05-11 | — | — | CN | claimed |
| CN-108026094-B | Substituted 4-azaindoles and their use as modulators of the GLUN2B receptor | 詹森药业有限公司 | 2021-02-09 | — | — | CN | disclosed |
| CN-108026094-A | Substituted 4-azaindoles and their use as modulators of the G L UN2B receptor | 詹森药业有限公司 | 2018-05-11 | — | — | CN | disclosed |