Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 2/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.30 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.30 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | BRAF | P15056 | 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 | |
|---|---|---|---|---|
| SCHEMBL27887117 | 0.77 | HSD17B1 (0.46) | CYP1A2SCN9A | |
| SCHEMBL27944525 | 0.72 | UTS2R (0.43) | UTS2R | |
| SCHEMBL27887189 | 0.72 | HSP90AB1 (0.33) | AKR1C3AKR1C2UTS2RFFAR1 | |
| SCHEMBL27887111 | 0.72 | BACE1 (0.46) | HDAC2CYP1A2CYP2C9DHODHBACE1 | |
| SCHEMBL1758965 | 0.71 | PTPN1 (0.51) | UTS2RFFAR1 | |
| SCHEMBL12520183 | 0.70 | HSD17B14 (0.51) | CYP1A2BACE1 | |
| SCHEMBL1758852 | 0.70 | GSK3B (0.42) | HDAC2HDAC8HDAC6AAK1BACE1 | |
| SCHEMBL26803625 | 0.69 | MEN1 (0.46) | AKR1C3AKR1C2CYP1A2CYP2C9 | |
| SCHEMBL1293774 | 0.69 | GSK3B (0.50) | BACE1 | |
| SCHEMBL16974295 | 0.68 | AAK1 (0.53) | AAK1BRAF |
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-102712623-B | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2014-04-02 | — | — | CN | disclosed |