Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | NCF1 | P14598 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 4/20 | 0.42 |
| ▸ | GAK | O14976 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | SCD | O00767 | 4/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.35 |
| ▸ | CYP8B1 | Q9UNU6 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 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 | |
|---|---|---|---|---|
| SCHEMBL8277163 | 0.84 | IDO1 (0.40) | ADRB2NCF1IDO1GAKCYP3A4 | |
| SCHEMBL14877512 | 0.83 | KMT2A (0.46) | ADRB2NCF1IDO1CYP3A4 | |
| SCHEMBL14877496 | 0.82 | MET (0.42) | GAKKDR | |
| SCHEMBL14877543 | 0.80 | HCRTR1 (0.48) | IDO1CYP3A4 | |
| SCHEMBL12213692 | 0.80 | IDO1 (0.41) | ADRB2NCF1IDO1GAKCYP3A4 | |
| SCHEMBL10058159 | 0.79 | IDO1 (0.41) | ADRB2NCF1IDO1GAKCYP3A4 | |
| SCHEMBL13627379 | 0.78 | IDO1 (0.41) | ADRB2NCF1IDO1GAKCYP3A4 | |
| SCHEMBL2797692 | 0.73 | GAK (0.64) | ADRB2NCF1GAKKDRAAK1 | |
| SCHEMBL13409691 | 0.72 | GAK (0.49) | ADRB2NCF1IDO1GAKGRM4 | |
| SCHEMBL23379637 | 0.71 | ALDH1A1 (0.40) | IDO1CYP8B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8426359-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-23 | — | — | US | disclosed |