Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.61 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.60 |
| ▸ | MC4R | P32245 | 1/20 | 0.58 |
| ▸ | HTR1A | P08908 | 1/20 | 0.58 |
| ▸ | DRD2 | P14416 | 1/20 | 0.58 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL18753415 | 0.89 | SLC6A3 (0.67) | SIGMAR1SLC6A3HTR1ADRD2ACHE | |
| SCHEMBL422176 | 0.88 | SIGMAR1 (0.76) | SIGMAR1SLC6A3MC4RHTR1ADRD2 | |
| SCHEMBL4627966 | 0.85 | SIGMAR1 (0.71) | SIGMAR1SLC6A3MC4RHTR1ADRD2 | |
| SCHEMBL13150782 | 0.83 | SLC6A3 (0.83) | SIGMAR1SLC6A3HTR1ADRD2ACHE | |
| SCHEMBL14407778 | 0.83 | SLC6A3 (0.83) | SIGMAR1SLC6A3HTR1ADRD2ACHE | |
| SCHEMBL7264546 | 0.83 | SLC6A3 (0.83) | SIGMAR1SLC6A3HTR1ADRD2ACHE | |
| SCHEMBL6056974 | 0.83 | SLC6A3 (0.83) | SIGMAR1SLC6A3HTR1ADRD2ACHE | |
| SCHEMBL1836418 | 0.82 | MC4R (0.78) | SIGMAR1MC4RACHE | |
| SCHEMBL2056159 | 0.81 | SLC6A3 (0.72) | SIGMAR1SLC6A3MC4RHTR1ADRD2 | |
| SCHEMBL6897743 | 0.79 | SLC6A3 (0.68) | SIGMAR1SLC6A3HTR1ADRD2ACHE |
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-3241554-B1 | QUINOLINE-8-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY | AGIOS PHARMACEUTICALS INC (US) | 2020-01-29 | — | — | EP | disclosed |