Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.70 |
| ▸ | RAB9A | P51151 | 3/20 | 0.70 |
| ▸ | LMNA | P02545 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.67 |
| ▸ | HTT | P42858 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 5/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.52 |
| ▸ | WNT3A | P56704 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.52 |
| ▸ | RELA | Q04206 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.51 |
| ▸ | SRC | P12931 | 1/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6205480 | 0.87 | NPC1 (0.62) | NPC1RAB9ALMNAALDH1A1MEN1 | |
| SCHEMBL22842579 | 0.85 | DPP4 (0.53) | NPC1RAB9ALMNAALDH1A1MEN1 | |
| SCHEMBL28491907 | 0.84 | RAB9A (0.55) | NPC1RAB9ALMNAALDH1A1MEN1 | |
| SCHEMBL28655557 | 0.84 | NPC1 (0.68) | NPC1RAB9ALMNAALDH1A1MEN1 | |
| SCHEMBL1304210 | 0.83 | NPC1 (1.00) | NPC1RAB9ALMNAALDH1A1KMT2A | |
| SCHEMBL28650786 | 0.81 | LMNA (0.76) | NPC1RAB9ALMNAALDH1A1KMT2A | |
| SCHEMBL7868896 | 0.81 | NPC1 (0.83) | NPC1RAB9ALMNAALDH1A1MAPT | |
| SCHEMBL9848120 | 0.81 | ALDH1A1 (0.72) | NPC1RAB9ALMNAALDH1A1MEN1 | |
| SCHEMBL14318114 | 0.81 | RAB9A (0.63) | NPC1RAB9ALMNAALDH1A1MEN1 | |
| SCHEMBL28658857 | 0.79 | NPC1 (0.70) | NPC1RAB9ALMNAALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |