Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 2/20 | 0.41 |
| ▸ | CTSB | P07858 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL26494427 | 1.00 | NPC1 (0.48) | NPC1RAB9AL3MBTL1CTSLCTSB | |
| SCHEMBL23506460 | 0.92 | NPC1 (0.46) | NPC1RAB9AL3MBTL1CTSLCTSB | |
| SCHEMBL23711151 | 0.90 | CTSL (0.47) | NPC1RAB9AL3MBTL1CTSLCTSB | |
| SCHEMBL23506312 | 0.89 | SMYD3 (0.42) | CTSLCTSB | |
| SCHEMBL26495046 | 0.88 | CTSL (0.47) | RAB9ACTSLCTSBHPGD | |
| SCHEMBL23506498 | 0.85 | CTSL (0.47) | NPC1RAB9ACTSLCTSBSMN1; SMN2 | |
| SCHEMBL21702353 | 0.85 | SMYD3 (0.41) | CTSLCTSB | |
| SCHEMBL21702104 | 0.82 | RAB9A (0.50) | NPC1RAB9AL3MBTL1SMN1; SMN2HPGD | |
| SCHEMBL23506496 | 0.82 | RAB9A (0.50) | NPC1RAB9AL3MBTL1SMN1; SMN2HPGD | |
| SCHEMBL23711798 | 0.81 | CTSL (0.46) | NPC1RAB9ACTSLCTSBSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |