Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MIF | P14174 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2705592 | 0.87 | NR1H3 (0.36) | NR1H3 | |
| SCHEMBL13071244 | 0.81 | NR1H3 (0.33) | NR1H3 | |
| SCHEMBL17656225 | 0.79 | AKR1C3 (0.38) | AKR1C3AKR1C2MAPTCYP1A2CYP2A6 | |
| SCHEMBL2756740 | 0.78 | NR1H3 (0.33) | NR1H3 | |
| SCHEMBL1102428 | 0.76 | KDM4E (0.44) | NR1H3MAPTMIF | |
| SCHEMBL13892833 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL13821481 | 0.74 | NR1H3 (0.34) | NR1H3 | |
| SCHEMBL13070643 | 0.72 | CYP2D6 (0.43) | AKR1C3AKR1C2MAPT | |
| SCHEMBL20055030 | 0.70 | BRD4 (0.33) | AKR1C3AKR1C2NR1H3MAPTCYP1A2 | |
| SCHEMBL13070864 | 0.69 | TSHR (0.33) | AKR1C3AKR1C2MAPTCYP1A2CYP2A6 |
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-3309157-A1 | ANTIVIRAL COMPOUNDS | Gilead Pharmasset LLC (US) | 2018-04-18 | — | — | EP | disclosed |