Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29009195 | 0.85 | SLC6A3 (0.45) | ALDH1A1SLC6A3SLC6A4 | |
| SCHEMBL29009179 | 0.85 | MMP1 (0.50) | ALDH1A1SLC6A3MEN1KMT2AGAA | |
| SCHEMBL30542594 | 0.81 | SLC6A3 (0.40) | CYP2D6POLBATMALDH1A1SLC6A3 | |
| SCHEMBL26799851 | 0.81 | SLC6A3 (0.40) | CYP2D6POLBATMALDH1A1SLC6A3 | |
| SCHEMBL29746187 | 0.81 | SLC6A3 (0.40) | CYP2D6POLBATMALDH1A1SLC6A3 | |
| SCHEMBL30542590 | 0.81 | SLC6A3 (0.40) | CYP2D6POLBATMALDH1A1SLC6A3 | |
| SCHEMBL5889304 | 0.80 | PPARG (0.46) | CYP2D6ATMTDP1MEN1KMT2A | |
| SCHEMBL29009207 | 0.78 | USP2 (0.57) | POLBMEN1KMT2ALMNA | |
| SCHEMBL6607989 | 0.77 | LDHA (0.43) | CYP2D6POLBSLC6A3MEN1KMT2A | |
| SCHEMBL7758749 | 0.72 | ALDH1A1 (0.41) | POLBALDH1A1SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116217458-A | 2-carbonyl-5-phenylpyrrole compound, preparation method, application and derivative thereof, and pharmaceutical composition | 湖北民族大学 | 2023-06-06 | — | — | CN | disclosed |