Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 2/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CDC25A | P30304 | 1/20 | 0.37 |
| ▸ | CDC25B | P30305 | 1/20 | 0.37 |
| ▸ | CDC25C | P30307 | 1/20 | 0.37 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23506295 | 1.00 | RAB9A (0.48) | RAB9ANPC1MAOBCTSLCTSS | |
| SCHEMBL23506408 | 0.96 | RAB9A (0.49) | RAB9ANPC1MAOBCTSLCTSS | |
| SCHEMBL21702240 | 0.96 | RAB9A (0.49) | RAB9ANPC1MAOBCTSLCTSS | |
| SCHEMBL21702241 | 0.88 | HPGD (0.48) | RAB9ANPC1MAOBCTSLRXFP1 | |
| SCHEMBL23506457 | 0.88 | RAB9A (0.41) | RAB9ANPC1MAOBCTSLCTSS | |
| SCHEMBL23506334 | 0.88 | HPGD (0.48) | RAB9ANPC1MAOBCTSLRXFP1 | |
| SCHEMBL21702027 | 0.87 | CTSL (0.49) | RAB9ANPC1MAOBCTSLCTSS | |
| SCHEMBL23711569 | 0.87 | CTSL (0.49) | RAB9ANPC1MAOBCTSLCTSS | |
| SCHEMBL23711667 | 0.86 | CTSL (0.47) | RAB9ANPC1MAOBCTSLCTSS | |
| SCHEMBL21702275 | 0.86 | CTSL (0.47) | RAB9ANPC1MAOBCTSLCTSS |
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 |