Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 13/20 | 0.39 |
| ▸ | NOS3 | P29474 | 11/20 | 0.39 |
| ▸ | NOS2 | P35228 | 11/20 | 0.39 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.34 |
| ▸ | HMGCR | P04035 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.30 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ALDH1B1 | P30837 | 1/20 | 0.30 |
| ▸ | ALDH1A3 | P47895 | 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 | |
|---|---|---|---|---|
| SCHEMBL14033017 | 0.83 | NOS3 (0.34) | NOS1NOS3NOS2HMGCRALDH1A1 | |
| SCHEMBL10061120 | 0.80 | RIPK1 (0.42) | NOS1NOS3NOS2HMGCRMAPT | |
| SCHEMBL14032753 | 0.79 | HMGCR (0.40) | NOS1NOS3NOS2HMGCRALDH1A1 | |
| SCHEMBL22011782 | 0.78 | HMGCR (0.34) | HMGCR | |
| SCHEMBL172038 | 0.77 | HMGCR (0.36) | HMGCRMAPT | |
| SCHEMBL15277107 | 0.77 | RAPGEF4 (0.36) | NOS1NOS3NOS2RAPGEF4TAAR1 | |
| SCHEMBL22011182 | 0.77 | PTPN1 (0.46) | HMGCRHTTTAAR1MAPTTSHR | |
| SCHEMBL8976517 | 0.76 | RAPGEF4 (0.35) | NOS1NOS3NOS2RAPGEF4 | |
| SCHEMBL31486558 | 0.76 | NOS1 (0.40) | NOS1NOS3NOS2RAPGEF4ALDH1A1 | |
| SCHEMBL26938483 | 0.75 | TAAR1 (0.39) | NOS1NOS3NOS2RAPGEF4ALDH1A1 |
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-4400502-A2 | TRIAZINE DERIVATIVES HAVING VIRUS REPLICATION INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | Shionogi & Co., Ltd (JP) | 2024-07-17 | — | — | EP | disclosed |