Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 5/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | STAT6 | P42226 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7448598 | 0.86 | SLC6A3 (0.44) | TSHRSLC6A3SLC6A2SLC6A4KCNA5 | |
| SCHEMBL12281478 | 0.83 | SLC6A3 (0.41) | TSHRSLC6A3SLC6A2SLC6A4KCNA5 | |
| SCHEMBL27827265 | 0.82 | SLC6A3 (0.38) | TSHRSLC6A3SLC6A2SLC6A4KCNA5 | |
| SCHEMBL21742017 | 0.80 | KCNH2 (0.44) | TSHRSLC6A3SLC6A2SLC6A4KCNA5 | |
| SCHEMBL4028597 | 0.80 | SLC6A3 (0.39) | TSHRSLC6A3SLC6A2SLC6A4KCNA5 | |
| SCHEMBL28575652 | 0.80 | SLC6A3 (0.39) | TSHRSLC6A3SLC6A2SLC6A4KCNA5 | |
| SCHEMBL15277627 | 0.79 | TSHR (0.41) | TSHRSLC6A3SLC6A2SLC6A4KCNA5 | |
| SCHEMBL21742152 | 0.78 | TSHR (0.49) | TSHRSLC6A3SLC6A2SLC6A4CYP2C19 | |
| SCHEMBL29035379 | 0.76 | SMN1; SMN2 (0.42) | TSHRSLC6A3SLC6A2SLC6A4CYP2C19 | |
| SCHEMBL12142306 | 0.75 | SLC6A2 (0.48) | TSHRSLC6A3SLC6A2SLC6A4KCNA5 |
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-3611164-A1 | PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | Mitsui Chemicals Agro, Inc. (JP) | 2020-02-19 | — | — | EP | disclosed |