Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | GSTO1 | P78417 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 3/20 | 0.42 |
| ▸ | TDO2 | P48775 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | ABCC9 | O60706 | 2/20 | 0.36 |
| ▸ | KCNJ11 | Q14654 | 2/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.35 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16462595 | 0.84 | GSTO1 (0.49) | SLC6A2GSTO1SLC6A4SLC6A3TSHR | |
| SCHEMBL16462593 | 0.84 | GSTO1 (0.49) | SLC6A2GSTO1SLC6A4SLC6A3TSHR | |
| SCHEMBL248563 | 0.81 | HTR2A (0.47) | SLC6A2GSTO1SLC6A4SLC6A3IDO1 | |
| SCHEMBL808678 | 0.81 | HTR2A (0.47) | SLC6A2GSTO1SLC6A4SLC6A3IDO1 | |
| SCHEMBL29478276 | 0.81 | HTR2A (0.47) | SLC6A2GSTO1SLC6A4SLC6A3IDO1 | |
| SCHEMBL4311235 | 0.81 | GSTO1 (0.53) | SLC6A2GSTO1CYP2D6SLC6A4SLC6A3 | |
| SCHEMBL15196460 | 0.81 | HTR2A (0.47) | SLC6A2GSTO1SLC6A4SLC6A3IDO1 | |
| SCHEMBL1690562 | 0.81 | GSTO1 (0.53) | SLC6A2GSTO1CYP2D6SLC6A4SLC6A3 | |
| SCHEMBL749492 | 0.81 | GSTO1 (0.53) | SLC6A2GSTO1CYP2D6SLC6A4SLC6A3 | |
| SCHEMBL29634686 | 0.81 | HTR2A (0.47) | SLC6A2GSTO1SLC6A4SLC6A3IDO1 |
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-3997096-A1 | NEW HETEROCYCLIC COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2022-05-18 | — | — | EP | disclosed |