Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | AOC2 | O75106 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | PDE1A | P54750 | 1/20 | 0.31 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.31 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23887039 | 1.00 | SCN9A (0.36) | SCN9AAOC3KDM4ETDP2TP53 | |
| SCHEMBL23898531 | 0.92 | KDM4E (0.37) | KDM4ETDP2TP53ALDH1A1GAA | |
| SCHEMBL23898361 | 0.90 | KDM4E (0.36) | KDM4ETDP2TP53ALDH1A1GAA | |
| SCHEMBL23898529 | 0.89 | GAA (0.42) | KDM4ECNR1CNR2ALDH1A1GAA | |
| SCHEMBL23898532 | 0.87 | KCNH2 (0.40) | KDM4ETDP2GAA | |
| SCHEMBL23898537 | 0.84 | KDM4E (0.35) | KDM4ETDP2TP53ALDH1A1GAA | |
| SCHEMBL23898538 | 0.83 | ALDH1A1 (0.34) | KDM4ETDP2ALDH1A1GAAPOLB | |
| SCHEMBL23886826 | 0.81 | AS3MT (0.47) | SCN9ACNR1CNR2ALDH1A1TSHR | |
| SCHEMBL30176308 | 0.81 | AS3MT (0.47) | SCN9ACNR1CNR2ALDH1A1TSHR | |
| SCHEMBL23898541 | 0.78 | GAA (0.44) | KDM4EALDH1A1GAAGFERLMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115916749-A | Substituted 5-hydroxyindole compounds as alpha-1 antitrypsin modulators | 弗特克斯药品有限公司 | 2023-04-04 | — | — | CN | disclosed |
| EP-4126817-A1 | SUBSTITUTED 5-HYDROXYINDOLE COMPOUNDS AS MODULATORS OF ALPHA-1 ANTITRYPSIN | Vertex Pharmaceuticals Incorporated (US) | 2023-02-08 | — | — | EP | disclosed |