Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.31 |
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 | 0.88 | NPC1 (0.40) | NPC1DGAT1 | |
| SCHEMBL28840675 | 0.87 | NPC1 (0.39) | NPC1DGAT1MAPTL3MBTL1MAPK1 | |
| SCHEMBL28841008 | 0.87 | NPC1 (0.39) | NPC1DGAT1PTGDR2 | |
| SCHEMBL28953077 | 0.86 | DGAT1 (0.42) | NPC1DGAT1MAPTCYP1A2CYP2C19 | |
| SCHEMBL28840658 | 0.85 | GRIK2 (0.39) | NPC1DGAT1MAPTKMT2ANPSR1 | |
| SCHEMBL28840691 | 0.83 | NPC1 (0.46) | NPC1DGAT1MAPTMEN1KMT2A | |
| SCHEMBL28840707 | 0.74 | DGAT1 (0.34) | NPC1DGAT1 | |
| SCHEMBL5511811 | 0.72 | NPC1 (0.37) | NPC1DGAT1PTPN1MAPTPLK1 | |
| SCHEMBL22659127 | 0.69 | KMT2A (0.44) | NPC1MAPTHTTKMT2ACYP1A2 | |
| SCHEMBL2420158 | 0.68 | CNR2 (0.47) | NPC1DGAT1MEN1KMT2ATDP1 |
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 |