Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.42 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 2/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.36 |
| ▸ | SCD | O00767 | 1/20 | 0.35 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23798648 | 0.88 | CYP2D6 (0.42) | CYP2D6KDM1AKMT2AOPRM1 | |
| SCHEMBL23798687 | 0.87 | CYP2D6 (0.48) | CYP2D6KDM1AKMT2AOPRM1SLC6A4 | |
| SCHEMBL23798665 | 0.86 | CYP2D6 (0.53) | CYP2D6KDM1AKMT2ACCR1OPRM1 | |
| SCHEMBL23798005 | 0.85 | KMT2A (0.57) | CYP2D6KDM1AKMT2ASLC6A4SLC6A3 | |
| SCHEMBL29709347 | 0.82 | SLC6A5 (0.43) | CYP2D6KMT2ASLC6A5 | |
| SCHEMBL20073787 | 0.82 | SLC6A5 (0.43) | CYP2D6KMT2ASLC6A5 | |
| SCHEMBL23799160 | 0.80 | CYP2D6 (0.56) | CYP2D6KDM1ACCR1OPRM1SLC6A5 | |
| SCHEMBL23799233 | 0.78 | DPP4 (0.51) | DPP4DPP8DPP9CYP2D6KMT2A | |
| SCHEMBL23798647 | 0.77 | USP30 (0.34) | DPP4CYP2D6KDM1ACCR1OPRM1 | |
| SCHEMBL23798594 | 0.76 | CYP2D6 (0.35) | CYP2D6KDM1A |
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 |