Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | CTSC | P53634 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23798665 | 0.88 | CYP2D6 (0.53) | CYP2D6KDM1AOPRM1CCR1 | |
| SCHEMBL23798687 | 0.86 | CYP2D6 (0.48) | CYP2D6KDM1AALDH1A1OPRM1BDKRB1 | |
| SCHEMBL23778456 | 0.84 | CYP2D6 (0.60) | CYP2D6KDM1AALDH1A1HSD11B1SLC6A5 | |
| SCHEMBL23799231 | 0.83 | CYP2D6 (0.41) | CYP2D6KDM1ASLC6A5 | |
| SCHEMBL20073797 | 0.81 | CYP2D6 (0.54) | CYP2D6OPRM1SLC6A5CTSBCTSS | |
| SCHEMBL20075017 | 0.81 | CYP2D6 (0.54) | CYP2D6OPRM1SLC6A5CTSBCTSS | |
| SCHEMBL23798648 | 0.81 | CYP2D6 (0.42) | CYP2D6KDM1AOPRM1 | |
| SCHEMBL23798652 | 0.80 | DPP4 (0.42) | CYP2D6KDM1AOPRM1CCR1SLC6A5 | |
| SCHEMBL23798595 | 0.79 | CYP2D6 (0.56) | CYP2D6KDM1AALDH1A1HSD11B1OPRM1 | |
| SCHEMBL23798005 | 0.78 | KMT2A (0.57) | CYP2D6KDM1AALDH1A1 |
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-3526207-B1 | HETEROCYCLIC COMPOUNDS HAVING ACTIVITY AS MODULATORS OF MUSCARINIC M1 AND/OR M4 RECEPTORS IN THE TREATMENT OF CNS DISEASES AND PAINS. | HEPTARES THERAPEUTICS LTD (GB) | 2021-09-08 | — | — | EP | disclosed |