Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Adamantane SCHEMBL6706214 | 0.86 | TSHR (0.48) | TSHRHPGDALDH1A1TP53HIF1A | |
| Acrylic Acid Ethyl Ester SCHEMBL9557413 | 0.85 | TSHR (0.60) | TSHRHPGDALDH1A1TP53HIF1A | |
| Acrylic Acid Ethyl Ester SCHEMBL3180 | 0.85 | — | — | |
| Acrylic Acid Ethyl Ester SCHEMBL8159679 | 0.85 | TSHR (0.60) | TSHRHPGDALDH1A1TP53HIF1A | |
| Acrylic Acid Ethyl Ester SCHEMBL11526908 | 0.83 | TSHR (0.50) | TSHRHPGDALDH1A1TP53HIF1A | |
| Acrylic Acid Ethyl Ester SCHEMBL28085458 | 0.83 | TSHR (0.54) | TSHRHPGDALDH1A1TP53HIF1A | |
| Acrylic Acid Ethyl Ester SCHEMBL23607549 | 0.83 | — | — | |
| Acrylic Acid Ethyl Ester SCHEMBL15553985 | 0.83 | TSHR (0.58) | TSHRHPGDALDH1A1TP53HIF1A | |
| Acrylic Acid Ethyl Ester SCHEMBL2482159 | 0.83 | — | — | |
| Acrylic Acid Ethyl Ester SCHEMBL4653222 | 0.83 | TSHR (0.58) | TSHRHPGDALDH1A1TP53HIF1A |
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-117486796-A | Synthesis method of key intermediate of quinolone antibacterial drug | 山东京新药业有限公司 | 2024-02-02 | — | — | CN | disclosed |