Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL23036720 | 1.00 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL21491412 | 1.00 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL31472402 | 0.90 | ALDH1A1 (0.48) | ALDH1A1CYP1A2MEN1KMT2AGAA | |
| SCHEMBL21491372 | 0.90 | ALDH1A1 (0.48) | ALDH1A1CYP1A2MEN1KMT2AGAA | |
| SCHEMBL23036750 | 0.90 | ALDH1A1 (0.48) | ALDH1A1CYP1A2MEN1KMT2AGAA | |
| SCHEMBL21491186 | 0.83 | TSHR (0.41) | ALDH1A1GAALMNATSHR | |
| SCHEMBL23036825 | 0.83 | TSHR (0.41) | ALDH1A1GAALMNATSHR | |
| SCHEMBL29849328 | 0.83 | TSHR (0.41) | ALDH1A1GAALMNATSHR | |
| SCHEMBL28500502 | 0.79 | ABCB1 (0.48) | — | |
| SCHEMBL5263045 | 0.77 | SIGMAR1 (0.42) | ALDH1A1MEN1KMT2AGAALMNA |
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-112236428-B | Antiproliferative compounds and uses thereof | 默克专利股份有限公司 | 2025-04-01 | — | — | CN | disclosed |