Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | VHL | P40337 | 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 | |
|---|---|---|---|---|
| SCHEMBL259320 | 0.84 | KDM4E (0.38) | KDM4EPKMLMNAMEN1ALDH1A1 | |
| SCHEMBL8200743 | 0.82 | KDM4E (0.44) | KDM4EPKMLMNAMEN1ALDH1A1 | |
| SCHEMBL23384732 | 0.82 | KDM4E (0.37) | KDM4EPKMLMNAMEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL32678745 | 0.81 | KDM4E (0.37) | KDM4EPKMLMNAMEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL32678742 | 0.81 | KDM4E (0.37) | KDM4EPKMLMNAMEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8601572 | 0.81 | KDM4E (0.43) | KDM4EPKMLMNAMEN1ALDH1A1 | |
| SCHEMBL8683323 | 0.79 | KDM4E (0.43) | KDM4EPKMLMNAMEN1ALDH1A1 | |
| SCHEMBL1844819 | 0.77 | — | — | |
| SCHEMBL14962396 | 0.77 | SLC6A3 (0.39) | KDM4EPKMMEN1CYP1A2CYP2D6 | |
| SCHEMBL26118221 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013120980-A1 | TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR | F. HOFFMANN-LA ROCHE AG (CH) | 2013-08-22 | — | — | WO | disclosed |