Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.54 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL31521643 | 0.93 | CYP11B1 (0.46) | CYP11B1KDRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31521668 | 0.93 | ALDH1A1 (0.49) | CYP11B1KDRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31521642 | 0.92 | KDR (0.53) | CYP11B1KDRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31521673 | 0.88 | KDR (0.43) | CYP11B1KDRUSP2CYP2D6CYP1A2 | |
| SCHEMBL31521650 | 0.83 | TSHR (0.49) | KDRUSP2CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL31521684 | 0.82 | KDR (0.68) | KDRCYP2D6CYP1A2CYP2C19TNKS2 | |
| SCHEMBL5124241 | 0.82 | KDR (0.68) | KDRCYP2D6CYP1A2CYP2C19TNKS2 | |
| SCHEMBL31521644 | 0.81 | ALDH1A1 (0.47) | KDRSLC6A2SLC6A4SLC6A3USP2 | |
| Hydrochloric Acid SCHEMBL9128302 | 0.81 | KDR (0.66) | KDRCYP2D6CYP1A2CYP2C19TNKS2 | |
| SCHEMBL29018544 | 0.78 | ALDH1A1 (0.51) | KDRCYP1A2CYP2C19TNKS2ALDH1A1 |
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-2025095271-A1 | NOVEL QUINOLINE-2(1H)-ONE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE AND USE THEREOF | 한국과학기술연구원 | 2025-05-08 | — | — | WO | disclosed |