Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.50 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | GOT1 | P17174 | 1/20 | 0.40 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.40 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27704617 | 0.81 | GPR84 (0.53) | GPR84MAPK1STING1KIF11CYP3A4 | |
| SCHEMBL21965348 | 0.81 | SLC22A6 (0.54) | SLC22A6GPR84KIF11ATMMEN1 | |
| SCHEMBL28961088 | 0.78 | SLC22A6 (0.55) | SLC22A6GPR84MAPK1ATMMEN1 | |
| SCHEMBL7086161 | 0.77 | GPR84 (0.62) | GPR84MEN1CYP3A4MAPTAHR | |
| SCHEMBL3538344 | 0.77 | SLC22A6 (0.58) | SLC22A6GPR84ATMMEN1CYP3A4 | |
| SCHEMBL6535531 | 0.77 | SLC22A6 (0.58) | SLC22A6GPR84ATMMEN1CYP3A4 | |
| SCHEMBL29761872 | 0.76 | TRPA1 (0.51) | MAPK1MEN1CYP3A4MAPTAHR | |
| SCHEMBL12475825 | 0.76 | TRPA1 (0.51) | MAPK1MEN1CYP3A4MAPTAHR | |
| SCHEMBL10920865 | 0.75 | SLC22A6 (0.53) | SLC22A6GPR84MAPK1ATMMEN1 | |
| SCHEMBL3925907 | 0.74 | SLC22A6 (0.64) | SLC22A6GPR84MAPK1STING1ATM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113717090-B | Trifluoromethyl-containing all-carbon quaternary carbon center indole acetonitrile compound and preparation method and application thereof | 南京林业大学 | 2022-04-05 | — | — | CN | disclosed |
| CN-113717090-B | Trifluoromethyl-containing all-carbon quaternary carbon center indole acetonitrile compound and preparation method and application thereof | 南京林业大学 | 2022-04-05 | — | — | CN | disclosed |
| CN-113717090-A | Trifluoromethyl-containing all-carbon quaternary carbon center indole acetonitrile compound and preparation method and application thereof | 南京林业大学 | 2021-11-30 | — | — | CN | disclosed |
| CN-113717090-A | Trifluoromethyl-containing all-carbon quaternary carbon center indole acetonitrile compound and preparation method and application thereof | 南京林业大学 | 2021-11-30 | — | — | CN | disclosed |