Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAPGEF4 | Q8WZA2 | 3/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.34 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20108400 | 0.75 | PDK2 (0.33) | RAPGEF4PDK2 | |
| SCHEMBL5953676 | 0.74 | TSHR (0.52) | TSHRAKR1C2AKR1C1KIF11 | |
| SCHEMBL25844613 | 0.74 | AR (0.49) | AKR1C2FFAR4GABRPGABRDGABRA1 | |
| SCHEMBL22031352 | 0.70 | PDK2 (0.48) | TSHRRAPGEF4PDK2GABRPGABRD | |
| SCHEMBL1622079 | 0.69 | RXRA (0.47) | TSHRAKR1C2AKR1C1KIF11 | |
| SCHEMBL3480563 | 0.69 | GABRP (0.53) | RAPGEF4GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL20108386 | 0.69 | AR (0.45) | TSHRRAPGEF4AKR1C2PDK2FFAR4 | |
| SCHEMBL18272233 | 0.69 | SMN1; SMN2 (0.40) | TSHRRAPGEF4FFAR4 | |
| SCHEMBL4792259 | 0.69 | PDE2A (0.51) | RAPGEF4GABRA2GABRB2RAPGEF3KIF11 | |
| SCHEMBL1104686 | 0.69 | IDO1 (0.44) | RAPGEF4RAPGEF3KIF11 |
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-2964635-B1 | ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2018-05-02 | — | — | EP | disclosed |