Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.30 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.30 |
| ▸ | ATR | Q13535 | 1/20 | 0.30 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.30 |
| ▸ | SLC1A2 | P43004 | 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 | |
|---|---|---|---|---|
| SCHEMBL16719037 | 0.90 | HSP90AA1 (0.32) | HSP90AA1HSP90AB1 | |
| SCHEMBL20153435 | 0.90 | HSP90AA1 (0.32) | HSP90AA1HSP90AB1 | |
| SCHEMBL16719040 | 0.90 | HSP90AA1 (0.32) | HSP90AA1HSP90AB1 | |
| SCHEMBL16730819 | 0.88 | SLC1A2 (0.35) | KCNH2HSP90AA1HSP90AB1MEN1KMT2A | |
| SCHEMBL20170435 | 0.87 | ATR (0.31) | KCNH2HRH3ATR | |
| SCHEMBL20169605 | 0.82 | CYP11B2 (0.33) | ATR | |
| SCHEMBL20170406 | 0.82 | CYP11B2 (0.33) | ATR | |
| SCHEMBL20170477 | 0.79 | SCN9A (0.31) | DRD2 | |
| SCHEMBL16719058 | 0.79 | SLC1A2 (0.34) | KCNH2HSP90AA1HSP90AB1TSHRSLC1A3 | |
| SCHEMBL16719021 | 0.76 | — | — |
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-3068391-B1 | ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG | MERCK SHARP & DOHME (US) | 2018-05-23 | — | — | EP | disclosed |