Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL2705693 | 0.86 | NR1H3 (0.37) | NR1H3 | |
| SCHEMBL2756591 | 0.81 | MAPK1 (0.36) | NR1H3MAPK1TDP1L3MBTL1TP53 | |
| SCHEMBL1102446 | 0.79 | NR1H3 (0.42) | NR1H3TSHRMAPK1MAPT | |
| SCHEMBL2756790 | 0.78 | NR1H3 (0.34) | NR1H3MAPK1TDP1L3MBTL1TP53 | |
| SCHEMBL16622751 | 0.78 | MAPT (0.41) | BRD4CYP1A2CYP2A6TSHRMAPK1 | |
| SCHEMBL13070643 | 0.70 | CYP2D6 (0.43) | AKR1C3AKR1C2MAPK1TDP1L3MBTL1 | |
| SCHEMBL20055076 | 0.70 | AKR1C3 (0.32) | AKR1C3AKR1C2NR1H3CYP1A2CYP2A6 | |
| SCHEMBL18462589 | 0.70 | GAA (0.33) | AKR1C3AKR1C2CYP1A2CYP2A6TSHR | |
| SCHEMBL14804047 | 0.69 | NR1H3 (0.42) | NR1H3 | |
| SCHEMBL20055096 | 0.67 | GAA (0.33) | AKR1C3AKR1C2CYP1A2CYP2A6TSHR |
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 |