Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 8/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | SLC6A5 | Q9Y345 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3222168 | 1.00 | GPR88 (0.40) | GPR88SLC6A9MAPK1SLC6A5CYP3A4 | |
| SCHEMBL4781054 | 0.88 | GPR88 (0.45) | GPR88SLC6A9SLC6A5ALDH1A1 | |
| SCHEMBL3221057 | 0.88 | GPR88 (0.45) | GPR88SLC6A9SLC6A5ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3207943 | 0.85 | GPR88 (0.39) | GPR88SLC6A9MAPK1SLC6A5CYP3A4 | |
| SCHEMBL4736420 | 0.80 | ADAM17 (0.41) | GPR88MAPK1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3218159 | 0.80 | ADAM17 (0.41) | GPR88MAPK1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13688412 | 0.79 | CTSK (0.46) | GPR88 | |
| SCHEMBL3213229 | 0.78 | MMP2 (0.46) | GPR88 | |
| SCHEMBL3220240 | 0.78 | GPR88 (0.45) | GPR88SLC6A9 | |
| SCHEMBL13688424 | 0.77 | GPR88 (0.47) | GPR88 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008074035-A1 | HCV PROTEASE INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2008-06-19 | — | — | WO | disclosed |