Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 11/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | RXRA | P19793 | 4/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL31191102 | 0.78 | CYP2C9 (0.43) | CYP17A1CYP2C9CYP2C19SYK | |
| SCHEMBL31191085 | 0.75 | RXRA (0.32) | SYKRXRAGRIN1GRIN2BSLC6A4 | |
| SCHEMBL31191259 | 0.74 | ALDH1A1 (0.41) | CYP2C19ALDH1A1 | |
| SCHEMBL24208475 | 0.73 | ALDH1A1 (0.41) | SYKALDH1A1SLC6A4TACR1KCNH2 | |
| SCHEMBL5567317 | 0.71 | ALDH1A1 (0.55) | ALDH1A1 | |
| SCHEMBL31191302 | 0.69 | KDM4E (0.47) | CYP2C19ALDH1A1 | |
| SCHEMBL24208481 | 0.68 | CFTR (0.40) | ALDH1A1SLC6A4TACR1KCNH2 | |
| SCHEMBL24208362 | 0.68 | SLC6A4 (0.32) | ALDH1A1SLC6A4HTR2CHTR2BTACR1 | |
| SCHEMBL874832 | 0.67 | SMN1; SMN2 (0.42) | SYKALDH1A1 | |
| SCHEMBL4569948 | 0.66 | RXRA (0.39) | ALDH1A1RXRAGRIN1GRIN2BKCNH2 |
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 |