Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.39 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.39 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14780181 | 0.84 | TSHR (0.45) | TSHRALDH1A1ACHECYP3A4POLB | |
| SCHEMBL17874040 | 0.81 | TSHR (0.43) | TSHRALDH1A1ACHECYP3A4POLB | |
| SCHEMBL4578793 | 0.81 | ALDH1A1 (0.49) | TSHRALDH1A1ACHECYP3A4POLB | |
| SCHEMBL3451996 | 0.80 | TSHR (0.42) | TSHRALDH1A1ACHECYP3A4POLB | |
| SCHEMBL6586026 | 0.79 | ALDH1A1 (0.51) | TSHRALDH1A1ACHECYP3A4POLB | |
| SCHEMBL2754706 | 0.79 | ALDH1A1 (0.51) | TSHRALDH1A1ACHECYP3A4POLB | |
| SCHEMBL21296440 | 0.79 | ALDH1A1 (0.51) | TSHRALDH1A1ACHECYP3A4POLB | |
| SCHEMBL22260936 | 0.78 | ACHE (0.43) | TSHRALDH1A1ACHECYP3A4POLB | |
| SCHEMBL4574789 | 0.78 | ALDH1A1 (0.40) | TSHRALDH1A1ACHECYP3A4POLB | |
| SCHEMBL3454507 | 0.77 | CYP2D6 (0.44) | TSHRALDH1A1ACHECYP3A4POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-117203202-A | Quinoxaline derivative and use thereof | 黑钻治疗公司 | 2023-12-08 | — | — | CN | disclosed |