Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.35 |
| ▸ | CASR | P41180 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KMO | O15229 | 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 | |
|---|---|---|---|---|
| SCHEMBL23879240 | 1.00 | TSHR (0.41) | TSHRMAPTALDH1A1HTTGAA | |
| SCHEMBL23879233 | 0.85 | PLAU (0.37) | MAPTALDH1A1HTTGAASMN1; SMN2 | |
| SCHEMBL30452681 | 0.85 | PLAU (0.37) | MAPTALDH1A1HTTGAASMN1; SMN2 | |
| SCHEMBL30452602 | 0.85 | HTT (0.45) | MAPTALDH1A1HTTGAASMN1; SMN2 | |
| SCHEMBL23879258 | 0.85 | HTT (0.45) | MAPTALDH1A1HTTGAASMN1; SMN2 | |
| SCHEMBL23879266 | 0.84 | CA12 (0.47) | TSHRMAPTHTTGAASMN1; SMN2 | |
| SCHEMBL30452491 | 0.84 | CA12 (0.47) | TSHRMAPTHTTGAASMN1; SMN2 | |
| SCHEMBL28428468 | 0.78 | ALDH1A1 (0.59) | TSHRMAPTALDH1A1GAANAPRT | |
| SCHEMBL23879241 | 0.77 | ALDH1A1 (0.55) | MAPTALDH1A1HTTGAASMN1; SMN2 | |
| SCHEMBL23879278 | 0.75 | HTT (0.49) | MAPTALDH1A1HTTGAASMN1; SMN2 |
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-111253404-B | Nitrogen-containing heterocyclic compound and composition, preparation method and application thereof | 上海医药集团股份有限公司 | 2023-05-23 | — | — | CN | disclosed |