Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 15/20 | 0.33 |
| ▸ | CNR1 | P21554 | 13/20 | 0.33 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ACAT1 | P24752 | 1/20 | 0.31 |
| ▸ | SOAT1 | P35610 | 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 | |
|---|---|---|---|---|
| SCHEMBL22752366 | 1.00 | CNR2 (0.33) | CNR2CNR1NR5A1KDM4ETP53 | |
| SCHEMBL22778499 | 1.00 | CNR2 (0.33) | CNR2CNR1NR5A1KDM4ETP53 | |
| SCHEMBL19251172 | 0.98 | CNR2 (0.32) | CNR2CNR1NR5A1KDM4ETP53 | |
| SCHEMBL19251313 | 0.98 | CNR2 (0.31) | CNR2CNR1MAPT | |
| SCHEMBL22752329 | 0.97 | CNR2 (0.32) | CNR2CNR1NR5A1 | |
| SCHEMBL19252846 | 0.97 | CNR1 (0.30) | CNR2CNR1MAPT | |
| SCHEMBL19251638 | 0.94 | S1PR4 (0.32) | CNR2CNR1NR5A1 | |
| SCHEMBL22752671 | 0.90 | MAPT (0.30) | MAPT | |
| SCHEMBL19251153 | 0.87 | MAPT (0.30) | MAPT | |
| SCHEMBL19251317 | 0.87 | S1PR1 (0.33) | CNR2CNR1NR5A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9732083-B2 | Tricyclic gyrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-08-15 | — | — | US | disclosed |