Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 4/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | EIF2AK3 | Q9NZJ5 | 2/20 | 0.33 |
| ▸ | CDK1 | P06493 | 2/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10304292 | 0.88 | PDK1 (0.39) | PDK1HSP90AA1HSP90AB1EIF2AK3CDK1 | |
| SCHEMBL18629110 | 0.86 | IDO1 (0.33) | IDO1 | |
| SCHEMBL18629344 | 0.86 | PDK1 (0.34) | PDK1CDK1CCNB1GSK3BHPGD | |
| SCHEMBL18052043 | 0.83 | YTHDC1 (0.34) | — | |
| SCHEMBL24059747 | 0.82 | IDO1 (0.30) | IDO1 | |
| SCHEMBL10304064 | 0.77 | PTPN11 (0.42) | MEN1LMNAKMT2A | |
| SCHEMBL24059784 | 0.77 | — | — | |
| SCHEMBL10304370 | 0.76 | KMT2A (0.50) | KMT2A | |
| SCHEMBL24059785 | 0.74 | — | — | |
| SCHEMBL18629341 | 0.72 | IRAK1 (0.45) | — |
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-3141252-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | Vertex Pharmaceuticals Inc. (US) | 2017-03-15 | — | — | EP | disclosed |