Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.55 |
| ▸ | RAB9A | P51151 | 5/20 | 0.55 |
| ▸ | SCD | O00767 | 1/20 | 0.50 |
| ▸ | GCK | P35557 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.46 |
| ▸ | HSPA9 | P38646 | 1/20 | 0.46 |
| ▸ | KCNK3 | O14649 | 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 | |
|---|---|---|---|---|
| SCHEMBL28700298 | 0.84 | PKM (0.54) | NPC1RAB9ASCDLMNAMEN1 | |
| SCHEMBL6713640 | 0.75 | NPC1 (0.71) | NPC1RAB9ASCDGCKLMNA | |
| SCHEMBL995829 | 0.71 | NPC1 (1.00) | NPC1RAB9ASCDLMNAMEN1 | |
| SCHEMBL10665904 | 0.71 | HSPA5 (0.60) | NPC1RAB9ASCDLMNAMEN1 | |
| SCHEMBL28270488 | 0.71 | NPC1 (0.60) | NPC1RAB9ASCDGCKLMNA | |
| Hydrochloric Acid SCHEMBL27594584 | 0.70 | NPC1 (0.97) | NPC1RAB9ASCDLMNAMEN1 | |
| SCHEMBL22187038 | 0.69 | SMN1; SMN2 (0.75) | NPC1RAB9ASCDGCKLMNA | |
| SCHEMBL16562033 | 0.67 | SCD (1.00) | NPC1RAB9ASCDLMNAMEN1 | |
| SCHEMBL11059973 | 0.67 | RAB9A (0.77) | NPC1RAB9ASCDLMNAMEN1 | |
| Benzamide SCHEMBL28276089 | 0.67 | NPC1 (0.51) | NPC1RAB9ASCDLMNAMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114075187-B | Carbonyl pyrazole antitumor compound as well as preparation method and application thereof | 山东大学 | 2023-05-12 | — | — | CN | disclosed |