Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 5/20 | 0.36 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | REN | P00797 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23506253 | 1.00 | OPRM1 (0.47) | OPRM1CTSLCTSBCTSKTMIGD3 | |
| SCHEMBL23506337 | 1.00 | OPRM1 (0.47) | OPRM1CTSLCTSBCTSKTMIGD3 | |
| SCHEMBL23506411 | 0.96 | OPRM1 (0.47) | OPRM1CTSLCTSBCTSKTMIGD3 | |
| SCHEMBL21702245 | 0.96 | OPRM1 (0.47) | OPRM1CTSLCTSBCTSKTMIGD3 | |
| SCHEMBL23506317 | 0.88 | OPRM1 (0.43) | OPRM1CTSKTMIGD3ADORA2AADORA1 | |
| SCHEMBL23506231 | 0.88 | OPRM1 (0.43) | OPRM1CTSKTMIGD3ADORA2AADORA1 | |
| SCHEMBL23506368 | 0.88 | OPRM1 (0.41) | OPRM1CTSLSLC6A2SLC6A4 | |
| SCHEMBL21702246 | 0.88 | OPRM1 (0.41) | OPRM1CTSLSLC6A2SLC6A4 | |
| SCHEMBL23506382 | 0.88 | OPRM1 (0.41) | OPRM1CTSLSLC6A2SLC6A4 | |
| SCHEMBL21702050 | 0.87 | REN (0.44) | OPRM1CTSLCTSBCTSKREN |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |