Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 2/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27103736 | 0.86 | MPO (0.53) | MPOOPRM1ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL27103731 | 0.86 | MPO (0.50) | MPOOPRM1ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL23217981 | 0.85 | MPO (0.52) | MPOOPRM1ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL27101985 | 0.85 | MPO (0.49) | MPOOPRM1ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL27101983 | 0.85 | MPO (0.51) | MPOOPRM1ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL23225612 | 0.84 | MPO (0.50) | MPOOPRM1ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL27102669 | 0.83 | MPO (0.48) | MPOOPRM1ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL23225738 | 0.83 | OPRM1 (0.40) | MPOOPRM1 | |
| SCHEMBL23225718 | 0.83 | MPO (0.49) | MPOOPRM1ALDH1A1CYP1A2CYP2C9 | |
| Trifluoroacetic Acid SCHEMBL29773033 | 0.83 | MPO (0.43) | MPOOPRM1ALDH1A1CYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021072140-A1 | PRODRUGS OF MYELOPEROXIDASE INHIBITORS | BIOHAVEN THERAPEUTICS LTD. (US) | 2021-04-15 | — | — | WO | disclosed |