Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK2 | Q13002 | 2/20 | 0.39 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 2/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | RORA | P35398 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
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 | 0.87 | NPC1 (0.40) | NPC1DGAT1 | |
| SCHEMBL28840675 | 0.86 | NPC1 (0.39) | NPC1DGAT1MAPTKDM4EPTGDR2 | |
| SCHEMBL28841008 | 0.86 | NPC1 (0.39) | NPC1DGAT1PTGDR2 | |
| SCHEMBL28953077 | 0.85 | DGAT1 (0.42) | NPC1DGAT1MAPT | |
| SCHEMBL28841004 | 0.85 | NPC1 (0.39) | NPC1NPSR1PTGER4DGAT1MAPT | |
| SCHEMBL28840691 | 0.82 | NPC1 (0.46) | NPC1PTGS2DGAT1MAPTKMT2A | |
| SCHEMBL28840707 | 0.73 | DGAT1 (0.34) | NPC1DGAT1 | |
| SCHEMBL29924561 | 0.67 | HTR2C (0.51) | POLBMAPTKMT2AKDM4EMTNR1A | |
| SCHEMBL28841058 | 0.67 | HTR2C (0.51) | POLBMAPTKMT2AKDM4EMTNR1A | |
| SCHEMBL23497756 | 0.67 | TDP1 (0.46) | NPC1POLBMAPTKDM4E |
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 |