Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 5/20 | 0.46 |
| ▸ | DRD4 | P21917 | 5/20 | 0.46 |
| ▸ | DRD3 | P35462 | 5/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CXCR4 | P61073 | 9/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | CCR2 | P41597 | 1/20 | 0.44 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL2926465 | 0.80 | SIGMAR1 (0.55) | SIGMAR1CYP3A4CXCR4MEN1CHRM2 | |
| SCHEMBL18713007 | 0.80 | DRD2 (0.49) | DRD2DRD4DRD3CYP17A1CYP3A4 | |
| SCHEMBL22422495 | 0.80 | CHRNB2 (0.54) | SIGMAR1CXCR4MEN1CHRM2CHRM1 | |
| SCHEMBL27969917 | 0.80 | CHRNB2 (0.47) | SIGMAR1CXCR4MEN1CHRM2CHRM1 | |
| SCHEMBL13770498 | 0.80 | CXCR4 (0.49) | SIGMAR1CXCR4MEN1CHRM2CHRM1 | |
| SCHEMBL20412699 | 0.80 | DRD2 (0.49) | DRD2DRD4DRD3CYP17A1CYP3A4 | |
| SCHEMBL18390555 | 0.80 | DRD2 (0.49) | DRD2DRD4DRD3CYP17A1CYP3A4 | |
| SCHEMBL29566635 | 0.80 | CHRNB2 (0.54) | SIGMAR1CXCR4MEN1CHRM2CHRM1 | |
| SCHEMBL939641 | 0.80 | DRD2 (0.49) | DRD2DRD4DRD3CYP17A1CYP3A4 | |
| SCHEMBL17929340 | 0.79 | CXCR4 (0.68) | SIGMAR1CXCR4MEN1CHRM2CHRM1 |
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 5 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 |
| CN-114380825-A | Substituted pyrazole fused ring derivative and preparation method and application thereof | 北京志健金瑞生物医药科技有限公司 | 2022-04-22 | — | — | CN | disclosed |
| WO-2012068450-A1 | CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS | INCYTE CORPORATION (US) | 2012-05-24 | — | — | WO | disclosed |
| WO-2009001021-A1 | IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES | CHROMA THERAPEUTICS LTD. (GB) | 2008-12-31 | — | — | WO | disclosed |