Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 5/20 | 0.39 |
| ▸ | HEXA | P06865 | 2/20 | 0.39 |
| ▸ | HEXB | P07686 | 2/20 | 0.39 |
| ▸ | BACE1 | P56817 | 3/20 | 0.39 |
| ▸ | NOS3 | P29474 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.38 |
| ▸ | GABRE | P78334 | 1/20 | 0.38 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.38 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10400002 | 0.87 | GABRP (0.46) | DHFRNOS3NOS1GABRPGABRD | |
| SCHEMBL4147975 | 0.69 | NOS3 (0.54) | DHFRBACE1NOS3NOS1GABRP | |
| SCHEMBL1581884 | 0.69 | TKT (0.46) | DHFR | |
| SCHEMBL21223284 | 0.68 | DHFR (0.48) | DHFRHEXAHEXBBACE1GABRP | |
| SCHEMBL18555575 | 0.67 | DHFR (0.40) | DHFRNOS3GABRPGABRDGABRA1 | |
| SCHEMBL2036773 | 0.67 | GABRP (0.43) | DHFRHEXAHEXBNOS3NOS1 | |
| SCHEMBL7051195 | 0.67 | MCHR1 (0.54) | BACE1 | |
| SCHEMBL7914661 | 0.67 | TLR8 (0.54) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Ethylamine SCHEMBL4429466 | 0.66 | — | — | |
| SCHEMBL28656484 | 0.66 | — | — |
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-111683660-A | Compounds and compositions for the treatment of pain | 斯特拉斯堡大学 | 2020-09-18 | — | — | CN | disclosed |