Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 6/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6784146 | 0.79 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3IRAK4CYP1A1 | |
| SCHEMBL14432054 | 0.79 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3IRAK4CYP1A1 | |
| SCHEMBL8802483 | 0.76 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3IRAK4CYP1A1 | |
| SCHEMBL14367734 | 0.76 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3IRAK4CYP1A1 | |
| Hydrochloric Acid SCHEMBL9844582 | 0.75 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3IRAK4CYP1A1 | |
| SCHEMBL25782996 | 0.75 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3IRAK4CYP1A1 | |
| Hydrochloric Acid SCHEMBL9844580 | 0.75 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3IRAK4CYP1A1 | |
| SCHEMBL26023451 | 0.75 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3IRAK4CYP1A1 | |
| Hydrochloric Acid SCHEMBL22532128 | 0.74 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3IRAK4CYP1A1 | |
| SCHEMBL24676918 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023093845-A1 | CHIMERIC COMPOUND FOR TARGETED DEGRADATION OF ANDROGEN RECEPTOR PROTEIN, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2023-06-01 | — | — | WO | disclosed |
| WO-2023011581-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF | 江苏恒瑞医药股份有限公司 | 2023-02-09 | — | — | WO | disclosed |
| WO-2020259724-A2 | PYRAZOLONE AND PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND USE THEREFOR | 上海医药集团股份有限公司 | 2020-12-30 | — | — | WO | disclosed |