Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | GABRP | O00591 | 2/20 | 0.40 |
| ▸ | GABRD | O14764 | 2/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.40 |
| ▸ | GABRE | P78334 | 2/20 | 0.40 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.40 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.40 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.40 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22329036 | 0.83 | TSHR (0.46) | CYP2D6CYP2C9CYP2C19GABRPGABRD | |
| SCHEMBL9468653 | 0.81 | CYP2D6 (0.47) | CYP2D6CYP2C9CYP2C19ALOX15ALDH1A1 | |
| SCHEMBL9468728 | 0.81 | CYP2D6 (0.47) | CYP2D6CYP2C9CYP2C19ALOX15ALDH1A1 | |
| SCHEMBL22329013 | 0.80 | GABRP (0.38) | CYP2D6CYP2C9CYP2C19GABRPGABRD | |
| SCHEMBL22329044 | 0.80 | GABRP (0.38) | CYP2D6CYP2C9CYP2C19GABRPGABRD | |
| SCHEMBL22329018 | 0.80 | GABRP (0.38) | CYP2D6CYP2C9CYP2C19GABRPGABRD | |
| SCHEMBL22329011 | 0.80 | GABRP (0.42) | CYP2D6CYP2C9CYP2C19GABRPGABRD | |
| SCHEMBL10755241 | 0.79 | CYP2D6 (0.46) | CYP2D6CYP2C9CYP2C19ALOX15ALDH1A1 | |
| SCHEMBL22329015 | 0.79 | ALDH1A1 (0.39) | CYP2D6CYP2C9CYP2C19GABRPGABRD | |
| SCHEMBL22328998 | 0.79 | TDP1 (0.40) | GABRPGABRDGABRA1GABRB1GABRG2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2975663-B1 | ORGANIC ELECTRONIC ELEMENT COMPRISING FULLERENE DERIVATIVE | LG CHEMICAL LTD (KR) | 2020-08-12 | — | — | EP | disclosed |