Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.82 |
| ▸ | NPC1 | O15118 | 2/20 | 0.82 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 4/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.56 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.55 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.55 |
| ▸ | FEN1 | P39748 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL1304210 | 0.91 | NPC1 (1.00) | RAB9ANPC1CYP3A4KMT2AMAPT | |
| SCHEMBL2928400 | 0.91 | NPC1 (0.87) | RAB9ANPC1KMT2AMAPTL3MBTL1 | |
| SCHEMBL7868896 | 0.89 | NPC1 (0.83) | RAB9ANPC1MAPTL3MBTL1PDE4B | |
| SCHEMBL24599291 | 0.89 | FFAR1 (0.69) | RAB9ANPC1MAPTL3MBTL1SMN1; SMN2 | |
| SCHEMBL1694670 | 0.86 | NPC1 (0.63) | RAB9ANPC1MEN1CYP3A4KMT2A | |
| SCHEMBL657122 | 0.85 | FFAR1 (0.69) | RAB9ANPC1MAPTL3MBTL1SMN1; SMN2 | |
| SCHEMBL16203309 | 0.84 | KMT2A (0.68) | RAB9ANPC1MEN1CYP3A4KMT2A | |
| SCHEMBL1303471 | 0.83 | NPC1 (0.85) | RAB9ANPC1KMT2AMAPTL3MBTL1 | |
| SCHEMBL11436374 | 0.83 | NPC1 (0.73) | RAB9ANPC1MEN1KMT2AMAPT | |
| SCHEMBL28650786 | 0.83 | LMNA (0.76) | RAB9ANPC1KMT2AMAPTL3MBTL1 |
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 |