Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | MLYCD | O95822 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.42 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.42 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | CNKSR1 | Q969H4 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1124489 | 0.77 | GAA (0.49) | L3MBTL1HCAR2KDM4EMAPTALDH1A1 | |
| SCHEMBL1124487 | 0.77 | GAA (0.49) | L3MBTL1HCAR2KDM4EMAPTALDH1A1 | |
| SCHEMBL29611878 | 0.75 | LMNA (0.35) | L3MBTL1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL13304571 | 0.75 | CNKSR1 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31124634 | 0.74 | POLB (0.48) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL9837034 | 0.73 | CA12 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL18272368 | 0.73 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL18260220 | 0.73 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL18678032 | 0.72 | CA12 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2691468 | 0.72 | CA12 (0.50) | CA12CA1CA2CA7CA9 |
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-117069720-A | 5-HT 2A Receptor agonist, preparation method and application thereof | 上海翊石医药科技有限公司 | 2023-11-17 | — | — | CN | disclosed |