Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR4 | P51679 | 16/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | EDNRA | P25101 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL376592 | 1.00 | CCR4 (0.41) | CCR4CCR5EDNRA | |
| SCHEMBL27447550 | 0.84 | CCR4 (0.33) | CCR4CCR5EDNRA | |
| SCHEMBL609085 | 0.84 | CCR4 (0.45) | CCR4CCR5EDNRA | |
| SCHEMBL30416654 | 0.84 | CCR4 (0.45) | CCR4CCR5EDNRA | |
| SCHEMBL29228512 | 0.80 | CCR4 (0.35) | CCR4EDNRA | |
| SCHEMBL10085406 | 0.80 | CCR4 (0.40) | CCR4CCR5EDNRA | |
| SCHEMBL32681581 | 0.78 | CCR4 (0.39) | CCR4CCR5EDNRA | |
| SCHEMBL15003347 | 0.78 | HPGD (0.40) | CCR4EDNRA | |
| SCHEMBL68083 | 0.76 | CCR4 (0.43) | CCR4CCR5EDNRA | |
| SCHEMBL14970085 | 0.76 | CCR4 (0.43) | CCR4CCR5EDNRA |
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-118027018-A | Tetrahydrocyclopentyl [ c ] pyrrole methyl ketone derivative, preparation method and application thereof | 江苏恩华药业股份有限公司 | 2024-05-14 | — | — | CN | disclosed |
| EP-4236938-A1 | MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS | Merck Sharp & Dohme LLC (US) | 2023-09-06 | — | — | EP | disclosed |
| CN-116600803-A | Macrocyclic urea orexin receptor agonists | 默沙东有限责任公司 | 2023-08-15 | — | — | CN | disclosed |
| CN-109651358-B | 4-aminopyridine derivative, pharmaceutical composition, preparation method and application thereof | 上海迪诺医药科技有限公司 | 2023-04-07 | — | — | CN | disclosed |
| WO-2022094012-A1 | MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2022-05-05 | — | — | WO | disclosed |