Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 11/20 | 0.37 |
| ▸ | CNR1 | P21554 | 8/20 | 0.37 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 5/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 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 | |
|---|---|---|---|---|
| SCHEMBL18935497 | 0.93 | CNR2 (0.44) | CNR2CNR1 | |
| SCHEMBL18935596 | 0.88 | NUDT1 (0.37) | CNR2NUDT1 | |
| SCHEMBL21789887 | 0.82 | CNR2 (0.40) | CNR2CNR1ESR1ESR2 | |
| SCHEMBL19251008 | 0.81 | NUDT1 (0.33) | NUDT1TLR8PKMESR1ESR2 | |
| SCHEMBL20017163 | 0.81 | NUDT1 (0.33) | CNR2CNR1NUDT1TLR8PKM | |
| SCHEMBL24486521 | 0.81 | CNR2 (0.36) | CNR2CNR1TLR8ESR1ESR2 | |
| SCHEMBL19251098 | 0.80 | CNR2 (0.35) | CNR2CNR1NUDT1TLR8TLR7 | |
| SCHEMBL20243849 | 0.80 | CNR2 (0.35) | CNR2CNR1NUDT1TLR8TLR7 | |
| SCHEMBL19251241 | 0.79 | NPC1 (0.41) | NUDT1 | |
| SCHEMBL23957925 | 0.79 | NUDT1 (0.34) | CNR2CNR1NUDT1TLR8PKM |
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 |