Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 7/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.51 |
| ▸ | MAPT | P10636 | 6/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | GAA | P10253 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | ATM | Q13315 | 2/20 | 0.51 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.51 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.51 |
| ▸ | CHUK | O15111 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | TDO2 | P48775 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30518029 | 1.00 | GLA (0.51) | GLAKDM4EMAPTALDH1A1GAA | |
| SCHEMBL30518151 | 0.82 | BCHE (0.57) | GLAKDM4EMAPTALDH1A1GAA | |
| SCHEMBL29078249 | 0.82 | BCHE (0.57) | GLAKDM4EMAPTALDH1A1GAA | |
| SCHEMBL30518063 | 0.79 | BCHE (0.60) | GLAKDM4EMAPTALDH1A1CHUK | |
| SCHEMBL29078131 | 0.79 | BCHE (0.60) | GLAKDM4EMAPTALDH1A1CHUK | |
| SCHEMBL8600513 | 0.78 | GLA (0.66) | GLAKDM4EMAPTALDH1A1GAA | |
| SCHEMBL5268682 | 0.77 | MAOA (0.61) | KDM4EMAPTALDH1A1LMNACHUK | |
| Hydrochloric Acid SCHEMBL21326137 | 0.76 | MAOA (0.59) | KDM4EMAPTALDH1A1LMNACHUK | |
| Hydrochloric Acid SCHEMBL29756356 | 0.76 | MAOA (0.59) | KDM4EMAPTALDH1A1LMNACHUK | |
| SCHEMBL29756369 | 0.75 | CHUK (0.49) | GLAKDM4EMAPTALDH1A1GAA |
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-116535403-A | Beta-carbopol derivative and preparation method, pharmaceutical composition and application thereof | 沈阳药科大学 | 2023-08-04 | — | — | CN | disclosed |