Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.50 |
| ▸ | TSHR | P16473 | 5/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | USP2 | O75604 | 4/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17177204 | 0.90 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2D6CYP3A4TSHR | |
| SCHEMBL13722312 | 0.86 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2D6CYP3A4TSHR | |
| SCHEMBL24341884 | 0.85 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2D6CYP3A4TSHR | |
| SCHEMBL277929 | 0.84 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2D6CYP3A4TSHR | |
| SCHEMBL14010813 | 0.83 | — | — | |
| SCHEMBL8402970 | 0.83 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP2D6CYP3A4TSHR | |
| SCHEMBL25824954 | 0.82 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2D6CYP3A4TSHR | |
| SCHEMBL25094298 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2D6CYP3A4TSHR | |
| SCHEMBL14417828 | 0.81 | NAMPT (0.42) | ALDH1A1CYP1A2CYP2D6CYP3A4TSHR | |
| SCHEMBL25824959 | 0.79 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2D6CYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023125737-A1 | HETEROCYCLIC COMPOUNDS AND USE THEREOF | SILEXON AI TECHNOLOGY CO., LTD. (CN) | 2023-07-06 | — | — | WO | disclosed |
| WO-2023116763-A1 | PYRIDAZINE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF | 上海优理惠生医药有限公司 | 2023-06-29 | — | — | WO | disclosed |