Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SKP2 | Q13309 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | MPL | P40238 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 5/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.35 |
| ▸ | RELA | Q04206 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CTRC | Q99895 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | RARB | P10826 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18418557 | 0.86 | BDKRB2 (0.32) | PDK2SMN1; SMN2 | |
| SCHEMBL22238938 | 0.85 | BDKRB2 (0.30) | — | |
| SCHEMBL22241013 | 0.84 | BRS3 (0.31) | — | |
| SCHEMBL19636610 | 0.83 | — | — | |
| SCHEMBL25070551 | 0.83 | BDKRB2 (0.35) | SMN1; SMN2 | |
| SCHEMBL22338526 | 0.82 | — | — | |
| SCHEMBL17176821 | 0.82 | — | — | |
| SCHEMBL22238945 | 0.82 | MPL (0.30) | MPL | |
| SCHEMBL22298810 | 0.81 | — | — | |
| SCHEMBL25070553 | 0.81 | XDH (0.33) | PDK2POLBDHODH |
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 |
|---|---|---|---|---|---|---|---|
| EP-3400271-B1 | LIQUID-CRYSTALLINE MIXTURES | MERCK PATENT GMBH (DE) | 2020-07-22 | — | — | EP | disclosed |