Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 15/20 | 0.66 |
| ▸ | GABRB2 | P47870 | 15/20 | 0.66 |
| ▸ | GABRP | O00591 | 5/20 | 0.65 |
| ▸ | GABRD | O14764 | 5/20 | 0.65 |
| ▸ | GABRB1 | P18505 | 5/20 | 0.65 |
| ▸ | GABRG2 | P18507 | 5/20 | 0.65 |
| ▸ | GABRB3 | P28472 | 5/20 | 0.65 |
| ▸ | GABRA5 | P31644 | 5/20 | 0.65 |
| ▸ | GABRA3 | P34903 | 5/20 | 0.65 |
| ▸ | GABRA2 | P47869 | 5/20 | 0.65 |
| ▸ | GABRA4 | P48169 | 5/20 | 0.65 |
| ▸ | GABRE | P78334 | 5/20 | 0.65 |
| ▸ | GABRA6 | Q16445 | 5/20 | 0.65 |
| ▸ | GABRG1 | Q8N1C3 | 5/20 | 0.65 |
| ▸ | GABRG3 | Q99928 | 5/20 | 0.65 |
| ▸ | GABRQ | Q9UN88 | 5/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL28623937 | 0.87 | GABRA1 (0.80) | GABRA1GABRB2GABRPGABRDGABRB1 | |
| SCHEMBL28628919 | 0.87 | GABRA1 (0.84) | GABRA1GABRB2GABRPGABRDGABRB1 | |
| SCHEMBL28620629 | 0.86 | GABRA1 (0.85) | GABRA1GABRB2GABRPGABRDGABRB1 | |
| SCHEMBL28620573 | 0.86 | GABRA1 (0.66) | GABRA1GABRB2GABRPGABRDGABRB1 | |
| SCHEMBL18169218 | 0.84 | KDM4E (0.54) | CYP1A2CYP2C9CYP2C19HSD17B10HDAC3 | |
| SCHEMBL28620347 | 0.83 | GABRA1 (0.86) | GABRA1GABRB2GABRPGABRDGABRB1 | |
| SCHEMBL28628913 | 0.82 | GABRA1 (0.63) | GABRA1GABRB2GABRPGABRDGABRB1 | |
| SCHEMBL26665197 | 0.80 | GABRA1 (1.00) | GABRA1GABRB2GABRPGABRDGABRB1 | |
| SCHEMBL28624798 | 0.79 | GABRA1 (0.63) | GABRA1GABRB2GABRPGABRDGABRB1 | |
| SCHEMBL28622375 | 0.78 | GABRA1 (0.86) | GABRA1GABRB2GABRPGABRDGABRB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112645885-A | Iminopyridazine derivative, preparation method and application thereof, and pesticide | 武汉工程大学 | 2021-04-13 | — | — | CN | claimed |
| CN-112645885-B | Iminopyridazine derivative, preparation method and application thereof, and pesticide | 武汉工程大学 | 2022-11-01 | — | — | CN | disclosed |
| CN-112645885-A | Iminopyridazine derivative, preparation method and application thereof, and pesticide | 武汉工程大学 | 2021-04-13 | — | — | CN | disclosed |