Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25404700 | 0.82 | AKR1C3 (0.45) | ACACBAKR1C3PDE10AGRIN2DGRIN3B | |
| SCHEMBL29572264 | 0.82 | AKR1C3 (0.45) | ACACBAKR1C3PDE10AGRIN2DGRIN3B | |
| SCHEMBL29010581 | 0.78 | CHRM4 (0.37) | PANK3CHRM4HTR1ADRD2DRD4 | |
| SCHEMBL31627368 | 0.78 | ACACB (0.47) | ACACBAKR1C3PDE10AGRIN2DGRIN3B | |
| SCHEMBL20474698 | 0.76 | AKR1C3 (0.49) | ACACBAKR1C3PDE10AGRIN2DGRIN3B | |
| SCHEMBL22666884 | 0.76 | ACACB (0.44) | ACACBAKR1C3PDE10AGRIN2DGRIN3B | |
| SCHEMBL26919191 | 0.76 | ACACB (0.45) | ACACBAKR1C3PDE10AGRIN2DGRIN3B | |
| SCHEMBL21909144 | 0.75 | RET (0.52) | ACACBAKR1C3PPARGPPARDPPARA | |
| SCHEMBL29567107 | 0.75 | RET (0.52) | ACACBAKR1C3PPARGPPARDPPARA | |
| SCHEMBL24240917 | 0.75 | RET (0.52) | ACACBAKR1C3PPARGPPARDPPARA |
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-114380825-B | Substituted pyrazole condensed ring derivative and preparation method and application thereof | 北京志健金瑞生物医药科技有限公司 | 2024-02-13 | — | — | CN | disclosed |
| CN-112771043-B | Substituted pyrazole condensed ring derivative and preparation method and application thereof | 北京志健金瑞生物医药科技有限公司 | 2023-04-28 | — | — | CN | disclosed |