Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15211955 | 0.92 | ALDH1A1 (0.44) | ALDH1A1KDM4ETSHRMAPK1RECQL | |
| SCHEMBL15211535 | 0.86 | LTA4H (0.42) | ALDH1A1KDM4EMEN1KMT2APOLB | |
| SCHEMBL3898665 | 0.80 | HSD11B1 (0.38) | POLBCNR1CNR2HSD11B1 | |
| SCHEMBL3898662 | 0.80 | HSD11B1 (0.38) | POLBCNR1CNR2HSD11B1 | |
| SCHEMBL15211838 | 0.78 | ALDH1A1 (0.44) | ALDH1A1KDM4ETSHRMAPK1RECQL | |
| SCHEMBL15211792 | 0.78 | LTA4H (0.44) | ALDH1A1KDM4EMEN1KMT2APOLB | |
| SCHEMBL1704641 | 0.77 | ALDH1A1 (0.51) | ALDH1A1KDM4ETSHRMAPK1RECQL | |
| SCHEMBL3294572 | 0.77 | ALDH1A1 (0.51) | ALDH1A1KDM4ETSHRMAPK1RECQL | |
| SCHEMBL14925980 | 0.77 | ALDH1A1 (0.51) | ALDH1A1KDM4ETSHRMAPK1RECQL | |
| SCHEMBL7295807 | 0.74 | ALDH1A1 (0.49) | ALDH1A1KDM4ETSHRMAPK1RECQL |
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-2817291-A1 | ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2014-12-31 | — | — | EP | disclosed |
| WO-2013124335-A1 | ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-08-29 | — | — | WO | disclosed |