Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 5/20 | 0.45 |
| ▸ | RXRA | P19793 | 2/20 | 0.45 |
| ▸ | RXRB | P28702 | 2/20 | 0.45 |
| ▸ | RXRG | P48443 | 1/20 | 0.45 |
| ▸ | FAAH | O00519 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8556328 | 0.94 | KDM4E (0.51) | ALDH1A1CYP2C9CYP2C19KDM4EHPGD | |
| SCHEMBL8555394 | 0.91 | NR4A2 (0.47) | ALDH1A1CYP2C19KDM4EHPGDNR4A2 | |
| SCHEMBL8558805 | 0.88 | ALDH1A1 (0.53) | ALDH1A1CYP2C9CYP2C19NR4A2GAA | |
| SCHEMBL8558225 | 0.84 | NR4A2 (0.48) | ALDH1A1CYP2C9CYP2C19KDM4EHPGD | |
| SCHEMBL8555804 | 0.84 | TP53 (0.46) | ALDH1A1CYP2C9CYP2C19KDM4EHPGD | |
| SCHEMBL9026644 | 0.82 | KMT2A (0.45) | ALDH1A1CYP2C9CYP2C19KDM4EHPGD | |
| SCHEMBL8557447 | 0.82 | RXRA (0.59) | CYP2C19KDM4EHPGDNR4A2RXRA | |
| SCHEMBL8560795 | 0.81 | EDNRB (0.43) | ALDH1A1CYP2C9CYP2C19KDM4EHPGD | |
| SCHEMBL8561174 | 0.80 | TSHR (0.44) | ALDH1A1CYP2C9CYP2C19KDM4EHPGD | |
| SCHEMBL8555072 | 0.79 | SLC40A1 (0.45) | ALDH1A1CYP2C9CYP2C19KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-5719163-A | ARTHRITIS | G.D. SEARLE & CO. (US) | 1998-02-17 | — | — | US | disclosed |