Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7465016 | 0.87 | RPS6KA3 (0.54) | CYP2A6CYP3A4ALDH1A1CYP1A2HPGD | |
| SCHEMBL23775013 | 0.83 | CYP2A6 (0.58) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL29775933 | 0.83 | CYP2A6 (0.58) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL30070521 | 0.83 | ALDH1A1 (0.60) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL1155160 | 0.83 | ALDH1A1 (0.60) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL1491549 | 0.82 | CYP2A6 (0.64) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL22236422 | 0.81 | RPS6KA3 (0.50) | KDM4EERN1RPS6KA3 | |
| Hydrochloric Acid SCHEMBL21412299 | 0.81 | ALDH1A1 (0.58) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL1847280 | 0.79 | NPC1 (0.63) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL10205403 | 0.77 | CYP19A1 (0.61) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E |
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-4536653-A2 | SIALIC ACID DERIVATIVES AND METHODS OF USING SAME | Eisai R&D Management Co., Ltd. (JP) | 2025-04-16 | — | — | EP | disclosed |
| WO-2023239906-A2 | SIALIC ACID DERIVATIVES AND METHODS OF USING SAME | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2023-12-14 | — | — | WO | disclosed |