Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.36 |
| ▸ | GABRE | P78334 | 1/20 | 0.36 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.36 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.36 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.36 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP1B1 | Q16678 | 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 | |
|---|---|---|---|---|
| SCHEMBL17863581 | 0.79 | MAPK1 (0.37) | — | |
| SCHEMBL18134367 | 0.79 | LPL (0.46) | CYP1A2 | |
| SCHEMBL16321105 | 0.76 | MAPT (0.42) | — | |
| SCHEMBL18427845 | 0.73 | PGR (0.49) | — | |
| SCHEMBL139848 | 0.72 | HDAC8 (0.50) | KEAP1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL139611 | 0.72 | HDAC8 (0.50) | KEAP1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL9946119 | 0.71 | ACHE (0.38) | — | |
| SCHEMBL24452337 | 0.70 | LPL (0.39) | CYP1A2 | |
| SCHEMBL26434430 | 0.70 | EPHX1 (0.39) | CYP1A2 | |
| SCHEMBL488467 | 0.70 | ESR2 (0.42) | — |
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-115353523-A | Synthesis method of compound containing high-activity cyanomethyl | 吉林大学 | 2022-11-18 | — | — | CN | claimed |
| CN-115353523-A | Synthesis method of compound containing high-activity cyanomethyl | 吉林大学 | 2022-11-18 | — | — | CN | disclosed |