Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 5/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 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 | |
| SCHEMBL28840675 | 0.88 | NPC1 (0.39) | NPC1DGAT1HRH1HTR6PTGDR2 | |
| SCHEMBL28841004 | 0.87 | NPC1 (0.39) | NPC1DGAT1PTGDR2 | |
| SCHEMBL28953077 | 0.87 | DGAT1 (0.42) | NPC1DGAT1 | |
| SCHEMBL28840658 | 0.86 | GRIK2 (0.39) | NPC1DGAT1PTGDR2 | |
| SCHEMBL28840691 | 0.84 | NPC1 (0.46) | NPC1DGAT1 | |
| SCHEMBL28840707 | 0.79 | DGAT1 (0.34) | NPC1DGAT1 | |
| SCHEMBL14493349 | 0.72 | NPC1 (0.38) | NPC1DGAT1 | |
| SCHEMBL14493341 | 0.69 | ADORA2A (0.37) | NPC1DGAT1 | |
| SCHEMBL31667555 | 0.68 | MIF (0.42) | NPC1 |
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 |