Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LSS | P48449 | 5/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | EP300 | Q09472 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | MET | P08581 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | TEK | Q02763 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | KHK | P50053 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | PARP15 | Q460N3 | 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL8761348 | 0.93 | LSS (0.43) | LSSSCN9AAURKALCKMET | |
| SCHEMBL8484710 | 0.81 | LSS (0.55) | LSSKDM4E | |
| SCHEMBL8760774 | 0.80 | LSS (0.43) | LSSSCN9AKDM4EALDH1A1HPGD | |
| Fumaric Acid SCHEMBL8761342 | 0.75 | LSS (0.42) | LSSFFAR4 | |
| SCHEMBL8478712 | 0.75 | LSS (0.50) | LSSSCN9AKDM1AEP300PARP15 | |
| SCHEMBL7687793 | 0.72 | LSS (0.61) | LSSALDH1A1MAOBPARP15PARP10 | |
| Hydrochloric Acid SCHEMBL7687465 | 0.71 | LSS (0.60) | LSSALDH1A1MAOBPARP15PARP10 | |
| Fumaric Acid SCHEMBL8484066 | 0.70 | LSS (0.48) | LSS | |
| SCHEMBL8484409 | 0.70 | LSS (0.55) | LSSKDM4EALDH1A1HPGDMAOA | |
| SCHEMBL8760860 | 0.69 | LSS (0.68) | LSS |
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 |
|---|---|---|---|---|---|---|---|
| EP-0778271-A2 | Aminoalkyl-substituted benzo-heterocyclic compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1997-06-11 | — | — | EP | claimed |
| EP-0778271-A2 | Aminoalkyl-substituted benzo-heterocyclic compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1997-06-11 | — | — | EP | disclosed |