Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | S100A4 | P26447 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PTPRC | P08575 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 3/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL23797445 | 1.00 | HSP90AA1 (0.39) | HSP90AA1TLR9ERN1CA12CA9 | |
| SCHEMBL28702504 | 0.81 | ALOX15 (0.41) | HSP90AA1TLR9ERN1CA12CA9 | |
| SCHEMBL30464061 | 0.81 | ALOX15 (0.41) | HSP90AA1TLR9ERN1CA12CA9 | |
| SCHEMBL12205351 | 0.76 | ERN1 (0.35) | ERN1CA12CA9CYP2A6ALDH1A1 | |
| SCHEMBL16959640 | 0.73 | ERN1 (0.45) | HSP90AA1TLR9ERN1CA12CA9 | |
| SCHEMBL2787330 | 0.73 | HSP90AA1 (0.41) | HSP90AA1TLR9ERN1CA12CA9 | |
| SCHEMBL414267 | 0.73 | ERN1 (0.61) | HSP90AA1TLR9ERN1CA12CA9 | |
| SCHEMBL29661857 | 0.73 | HSP90AA1 (0.41) | HSP90AA1TLR9ERN1CA12CA9 | |
| SCHEMBL5539045 | 0.73 | ERN1 (0.41) | HSP90AA1TLR9ERN1CA12CA9 | |
| SCHEMBL5862650 | 0.73 | EIF2AK2 (0.55) | HSP90AA1ERN1CA12CA9ALDH1A1 |
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-3876928-A2 | INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION | Merck Sharp & Dohme Corp. (US) | 2021-09-15 | — | — | EP | disclosed |