Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | BCHE | P06276 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.37 |
| ▸ | TNFRSF1A | P19438 | 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 | |
|---|---|---|---|---|
| SCHEMBL28150514 | 0.70 | NPC1 (0.43) | NPC1RAB9ABCHEMAPTLMNA | |
| SCHEMBL27726340 | 0.68 | AKT1 (0.45) | NPC1RAB9ABCHEMAPTLMNA | |
| SCHEMBL7102375 | 0.65 | NPC1 (0.40) | NPC1RAB9ABCHEMAPTLMNA | |
| SCHEMBL27950180 | 0.65 | MAPT (0.40) | NPC1RAB9ABCHEMAPTLMNA | |
| SCHEMBL3472865 | 0.65 | AKT1 (0.42) | NPC1RAB9ABCHEMAPTLMNA | |
| SCHEMBL27622477 | 0.64 | NPC1 (0.39) | NPC1RAB9ABCHEMAPTLMNA | |
| SCHEMBL28735610 | 0.64 | MAPT (0.42) | NPC1RAB9ABCHEMAPTLMNA | |
| SCHEMBL27695488 | 0.64 | AKT1 (0.41) | NPC1RAB9ABCHEMAPTLMNA | |
| SCHEMBL2492193 | 0.64 | MAPT (0.44) | NPC1RAB9ABCHEMAPTLMNA | |
| SCHEMBL27741901 | 0.62 | NPC1 (0.40) | NPC1RAB9ABCHEMAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-113527368-B | Preparation method and application of compound and anti-cancer drug | 中国科学技术大学 | 2023-03-10 | — | — | CN | disclosed |
| CN-113527368-A | Preparation method and application of compound and anticancer drug | 中国科学技术大学 | 2021-10-22 | — | — | CN | disclosed |