Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 12/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.37 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 2/20 | 0.32 |
| ▸ | TGM2 | P21980 | 2/20 | 0.32 |
| ▸ | BCHE | P06276 | 2/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17265675 | 0.84 | CES1 (0.47) | CES1ALDH1A1ALDH2ALDH3A1DAO | |
| SCHEMBL18688326 | 0.77 | CES1 (0.71) | CES1DAOTGM2BCHENSD2 | |
| SCHEMBL19210912 | 0.77 | CES1 (0.41) | CES1ALDH1A1ALDH2ALDH3A1DAO | |
| SCHEMBL31528208 | 0.77 | CES1 (0.71) | CES1ALDH1A1ALDH2ALDH3A1DAO | |
| SCHEMBL5230708 | 0.77 | CES1 (0.62) | CES1ALDH1A1ALDH2ALDH3A1DAO | |
| SCHEMBL29444533 | 0.77 | CES1 (0.41) | CES1ALDH1A1ALDH2ALDH3A1DAO | |
| SCHEMBL6179901 | 0.73 | CES1 (0.47) | CES1DAOBCHENSD2DNMT1 | |
| SCHEMBL28413118 | 0.70 | MEN1 (0.41) | ALDH1A1MEN1POLBMAPTHTT | |
| SCHEMBL24399769 | 0.69 | TGM2 (0.43) | CES1ALDH1A1ALDH2ALDH3A1DAO | |
| SCHEMBL30762587 | 0.69 | CES1 (0.53) | CES1ALDH1A1ALDH2ALDH3A1DAO |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025235874-A1 | HETEROCYCLICS AS EGFR INHIBITORS | SCHRÖDINGER, INC. (US) | 2025-11-13 | — | — | WO | disclosed |