Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.76 |
| ▸ | MAPT | P10636 | 3/20 | 0.76 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.76 |
| ▸ | NPC1 | O15118 | 1/20 | 0.73 |
| ▸ | RAB9A | P51151 | 1/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.64 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.56 |
| ▸ | RELA | Q04206 | 1/20 | 0.56 |
| ▸ | MMP1 | P03956 | 1/20 | 0.55 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.55 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.55 |
| ▸ | GSK3B | P49841 | 1/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL7868896 | 0.93 | NPC1 (0.83) | LMNAMAPTL3MBTL1NPC1RAB9A | |
| SCHEMBL4940823 | 0.89 | KMT2A (0.62) | LMNAMAPTL3MBTL1NPC1RAB9A | |
| SCHEMBL11436374 | 0.87 | NPC1 (0.73) | LMNAMAPTL3MBTL1NPC1RAB9A | |
| SCHEMBL28668863 | 0.85 | RAB9A (0.71) | LMNAMAPTL3MBTL1NPC1RAB9A | |
| SCHEMBL656856 | 0.85 | NPC1 (0.71) | LMNAMAPTL3MBTL1NPC1RAB9A | |
| SCHEMBL1304164 | 0.85 | NPC1 (0.71) | LMNAMAPTL3MBTL1NPC1RAB9A | |
| SCHEMBL4096780 | 0.85 | NPC1 (0.71) | LMNAMAPTL3MBTL1NPC1RAB9A | |
| SCHEMBL3099733 | 0.85 | NPC1 (0.65) | LMNAMAPTL3MBTL1NPC1RAB9A | |
| SCHEMBL8200487 | 0.85 | NPC1 (0.71) | LMNAMAPTL3MBTL1NPC1RAB9A | |
| SCHEMBL1304210 | 0.85 | NPC1 (1.00) | LMNAMAPTL3MBTL1NPC1RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114957037-A | Method for synthesizing beta-aminocarbonyl compound by photo-induced oxalyl oxime ester homolytic decarboxylation and activated olefin addition | 中山大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-113354586-B | Preparation method of trifluoromethyl-containing pyrazolone compound | 大连理工大学 | 2022-06-10 | — | — | CN | disclosed |
| CN-113717092-A | Preparation method of trifluoromethyl-containing 3-substituted-2-indolinone compound | 美罗药业股份有限公司 | 2021-11-30 | — | — | CN | disclosed |
| CN-113354586-A | Preparation method of trifluoromethyl-containing pyrazolone compound | 大连理工大学 | 2021-09-07 | — | — | CN | disclosed |