Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 4/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
| ▸ | PER2 | O15055 | 1/20 | 0.30 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.30 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28840680 | 0.89 | NPC1 (0.40) | NPC1DGAT1 | |
| SCHEMBL28841008 | 0.88 | NPC1 (0.39) | NPC1DGAT1PTGDR2HRH1HTR6 | |
| SCHEMBL28953077 | 0.87 | DGAT1 (0.42) | NPC1DGAT1MAPT | |
| SCHEMBL28841004 | 0.87 | NPC1 (0.39) | NPC1DGAT1PTGDR2MAPTMAPK1 | |
| SCHEMBL28840658 | 0.86 | GRIK2 (0.39) | NPC1DGAT1PTGDR2MAPTKDM4E | |
| SCHEMBL28840691 | 0.84 | NPC1 (0.46) | NPC1DGAT1MAPT | |
| SCHEMBL28840707 | 0.74 | DGAT1 (0.34) | NPC1DGAT1 | |
| SCHEMBL31411450 | 0.73 | DGAT1 (0.43) | NPC1DGAT1ALOX5APFEN1KDM4E | |
| SCHEMBL16977979 | 0.69 | DGAT1 (0.36) | NPC1DGAT1ALOX5APFEN1MAPT | |
| SCHEMBL23497836 | 0.67 | TBXA2R (0.39) | NPC1DGAT1 |
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-115028655-B | 2-trifluoromethyl-3-iodo-indole compound and preparation method thereof | 上海大学 | 2024-01-16 | — | — | CN | disclosed |
| CN-115028655-A | 2-trifluoromethyl-3-iodine-indole compound and preparation method thereof | 上海大学 | 2022-09-09 | — | — | CN | disclosed |