Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.43 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | TYK2 | P29597 | 1/20 | 0.40 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30201250 | 0.83 | ALDH1A1 (0.52) | ALDH1A1KCNJ5KCNJ3MRGPRX4CYP1A2 | |
| SCHEMBL1775542 | 0.83 | ALDH1A1 (0.52) | ALDH1A1KCNJ5KCNJ3MRGPRX4CYP1A2 | |
| SCHEMBL14263413 | 0.82 | ALDH1A1 (0.45) | ALDH1A1KCNJ5KCNJ3MRGPRX4CYP1A2 | |
| SCHEMBL30591389 | 0.82 | ALDH1A1 (0.48) | ALDH1A1KCNJ5KCNJ3MRGPRX4CYP1A2 | |
| SCHEMBL92949 | 0.79 | PDE2A (0.44) | ALDH1A1KCNJ5KCNJ3CYP1A2CYP2C19 | |
| SCHEMBL27643679 | 0.79 | ALDH1A1 (0.45) | ALDH1A1KCNJ5KCNJ3MRGPRX4CYP1A2 | |
| SCHEMBL14016062 | 0.76 | PDE2A (0.42) | ALDH1A1KCNJ5KCNJ3CYP1A2CYP2C19 | |
| SCHEMBL5500906 | 0.75 | IDO1 (0.43) | ALDH1A1TP53MEN1KMT2AFFAR4 | |
| SCHEMBL5235367 | 0.75 | ALDH1A1 (0.43) | ALDH1A1KCNJ5KCNJ3CYP1A2CYP2C19 | |
| SCHEMBL10050765 | 0.75 | SLC6A4 (0.46) | ALDH1A1MRGPRX4CYP2C19MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4688717-A1 | PALLADIUM-CATALYZED CHEMOSELECTIVE MONO-ALPHA-ARYLATION OF O-PROTECTED HYDROXYACETONE | Bayer Aktiengesellschaft (DE) | 2026-02-11 | — | — | EP | disclosed |
| WO-2024200462-A1 | PALLADIUM-CATALYZED CHEMOSELECTIVE MONO-α-ARYLATION OF O-PROTECTED HYDROXYACETONE | BAYER AKTIENGESELLSCHAFT (DE) | 2024-10-03 | — | — | WO | disclosed |