Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MAP3K11 | Q16584 | 6/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | AXL | P30530 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TNIK | Q9UKE5 | 2/20 | 0.41 |
| ▸ | BRAF | P15056 | 3/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 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 | |
|---|---|---|---|---|
| SCHEMBL30007824 | 0.92 | CHRM2 (0.44) | ALDH1A1KDM4EHPGDHSD17B10MAP3K11 | |
| SCHEMBL30007554 | 0.82 | AVPR1A (0.47) | MAP3K11AXL | |
| SCHEMBL30007672 | 0.81 | PAK1 (0.53) | ALDH1A1KDM4EHPGDCYP2C19AXL | |
| Hydrochloric Acid SCHEMBL30007576 | 0.80 | AXL (0.54) | CYP2C19AXLCYP2C9 | |
| SCHEMBL30008314 | 0.78 | AXL (0.67) | CYP2C19AXLCYP2C9 | |
| SCHEMBL30007820 | 0.77 | TNIK (0.41) | MAP3K11CYP3A4TNIKNTRK1 | |
| SCHEMBL30007677 | 0.74 | AXL (0.50) | MAP3K11AXL | |
| SCHEMBL14574938 | 0.72 | ATR (0.43) | MAP3K11CYP2C9 | |
| SCHEMBL30007734 | 0.72 | MAPK8 (0.45) | MAP3K11AXLCYP3A4BRAF | |
| SCHEMBL16975963 | 0.71 | ATR (0.43) | — |
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-2022237922-A1 | ANTITUMOR COMPOUNDS BASED ON NITROGEN HETEROCYCLES AND USE THEREOF AS MEDICAMENTS | FAKULTNI NEMOCNICE HRADEC KRALOVE (CZ) | 2022-11-17 | — | — | WO | disclosed |