Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYGL | P06737 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21702323 | 0.96 | PYGL (0.54) | PYGLKDM4ECAPN1CTSLCTSB | |
| SCHEMBL23506377 | 0.96 | PYGL (0.54) | PYGLKDM4ECAPN1CTSLCTSB | |
| SCHEMBL21702075 | 0.92 | PYGL (0.53) | PYGLCTSLCTSBCTSS | |
| SCHEMBL26493770 | 0.92 | PYGL (0.53) | PYGLCTSLCTSBCTSS | |
| SCHEMBL21702080 | 0.91 | PYGL (0.52) | PYGLCTSLCTSBCTSS | |
| SCHEMBL23711697 | 0.91 | PYGL (0.52) | PYGLCTSLCTSBCTSS | |
| SCHEMBL21702270 | 0.90 | CYP51A1 (0.49) | — | |
| SCHEMBL26496060 | 0.90 | CYP51A1 (0.49) | — | |
| SCHEMBL23506504 | 0.90 | CYP51A1 (0.52) | PYGL | |
| SCHEMBL21702171 | 0.90 | CYP51A1 (0.52) | PYGL |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021151387-A1 | PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND | 中国科学院上海药物研究所 | 2021-08-05 | — | — | WO | disclosed |
| EP-3835296-A1 | KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2021-06-16 | — | — | EP | disclosed |
| WO-2020030143-A1 | KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF | 中国科学院上海药物研究所 | 2020-02-13 | — | — | WO | disclosed |