Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 2/20 | 0.42 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.42 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.42 |
| ▸ | PRKCB | P05771 | 1/20 | 0.40 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | SCD | O00767 | 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 | |
|---|---|---|---|---|
| SCHEMBL23778233 | 0.90 | CYP2D6 (0.44) | CYP2D6PRKCBKDM2BKDM1AALDH1A1 | |
| SCHEMBL23778274 | 0.90 | CYP2D6 (0.52) | CYP2D6PRKCBKDM1AALDH1A1MEN1 | |
| SCHEMBL23778279 | 0.89 | CYP2D6 (0.49) | CYP2D6DPP4DPP8DPP9PRKCB | |
| SCHEMBL23778310 | 0.89 | CYP2D6 (0.46) | CYP2D6PRKCBKDM1AKMT2ACCR2 | |
| SCHEMBL23778436 | 0.84 | CYP2D6 (0.41) | CYP2D6PRKCBKDM2B | |
| SCHEMBL23778231 | 0.83 | CYP2D6 (0.44) | CYP2D6DPP4DPP8DPP9PRKCB | |
| SCHEMBL23778336 | 0.83 | CYP2D6 (0.57) | CYP2D6PRKCBKDM1AALDH1A1PDE4A | |
| SCHEMBL23778427 | 0.82 | CYP2D6 (0.48) | CYP2D6KDM1AALDH1A1MEN1KMT2A | |
| SCHEMBL23778283 | 0.82 | CYP2D6 (0.44) | CYP2D6KDM2BCNR2ALDH1A1LMNA | |
| SCHEMBL23778252 | 0.81 | DPP4 (0.38) | CYP2D6DPP4PRKCBKMT2ASMN1; SMN2 |
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 | claimed |