Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.46 |
| ▸ | GABRP | O00591 | 4/20 | 0.42 |
| ▸ | GABRD | O14764 | 4/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.42 |
| ▸ | GABRA4 | P48169 | 4/20 | 0.42 |
| ▸ | GABRE | P78334 | 4/20 | 0.42 |
| ▸ | GABRA6 | Q16445 | 4/20 | 0.42 |
| ▸ | GABRG1 | Q8N1C3 | 4/20 | 0.42 |
| ▸ | GABRG3 | Q99928 | 4/20 | 0.42 |
| ▸ | GABRQ | Q9UN88 | 4/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28427113 | 1.00 | CYP1A1 (0.46) | CYP1A1CYP1A2CYP1B1GABRPGABRD | |
| SCHEMBL28435055 | 0.86 | CYP1A1 (0.44) | CYP1A1CYP1A2CYP1B1GABRPGABRD | |
| SCHEMBL29979505 | 0.86 | CYP1A1 (0.44) | CYP1A1CYP1A2CYP1B1GABRPGABRD | |
| SCHEMBL28429343 | 0.86 | CYP1A1 (0.44) | CYP1A1CYP1A2CYP1B1GABRPGABRD | |
| SCHEMBL29979238 | 0.86 | CYP1A1 (0.44) | CYP1A1CYP1A2CYP1B1GABRPGABRD | |
| SCHEMBL29979211 | 0.79 | GABRP (0.52) | CYP1A1CYP1A2CYP1B1GABRPGABRD | |
| SCHEMBL28429335 | 0.79 | GABRP (0.52) | CYP1A1CYP1A2CYP1B1GABRPGABRD | |
| SCHEMBL29978795 | 0.72 | CYP1A1 (0.46) | CYP1A1CYP1A2CYP1B1GABRPGABRD | |
| SCHEMBL28436960 | 0.72 | CYP1A1 (0.46) | CYP1A1CYP1A2CYP1B1GABRPGABRD | |
| SCHEMBL18002948 | 0.70 | CYP1A1 (0.43) | CYP1A1CYP1A2CYP1B1GABRPGABRD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111072604-B | Alpha-aminoamide derivatives and use thereof | 广东东阳光药业有限公司 | 2022-11-04 | — | — | CN | disclosed |