Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KCNT1 | Q5JUK3 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5567317 | 0.85 | ALDH1A1 (0.55) | ALDH1A1RAB9AJMJD6NPSR1L3MBTL1 | |
| SCHEMBL31191302 | 0.81 | KDM4E (0.47) | ALDH1A1RAB9AJMJD6L3MBTL1MAPT | |
| SCHEMBL31191107 | 0.79 | EPHX2 (0.53) | JMJD6EPHX2ACHENPSR1L3MBTL1 | |
| SCHEMBL31191251 | 0.77 | MLYCD (0.41) | ALDH1A1RAB9AJMJD6MAPTKMT2A | |
| SCHEMBL31191159 | 0.76 | LPL (0.34) | ACHE | |
| SCHEMBL31191208 | 0.74 | CYP17A1 (0.38) | ALDH1A1CYP2C19 | |
| SCHEMBL24208475 | 0.72 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1MAPTKMT2AMEN1 | |
| SCHEMBL24208481 | 0.69 | CFTR (0.40) | ALDH1A1NPSR1L3MBTL1MAPTCYP3A4 | |
| SCHEMBL24208362 | 0.67 | SLC6A4 (0.32) | ALDH1A1 | |
| SCHEMBL13890805 | 0.67 | EPHX2 (0.52) | JMJD6EPHX2L3MBTL1MAPTGSK3B |
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-4702025-A1 | BICYCLIC HETEROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2026-03-04 | — | — | EP | disclosed |
| WO-2024223715-A1 | BICYCLIC HETEROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2024-10-31 | — | — | WO | disclosed |