Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23798654 | 0.85 | OPRL1 (0.56) | CYP2D6L3MBTL1MEN1KMT2ACCR1 | |
| SCHEMBL23778435 | 0.84 | CYP2D6 (0.56) | CYP2D6ALDH1A1KDM4EL3MBTL1MEN1 | |
| SCHEMBL9435664 | 0.84 | OPRL1 (0.58) | CYP2D6L3MBTL1CCR1OPRL1OPRM1 | |
| SCHEMBL23798593 | 0.83 | CYP2D6 (0.47) | CYP2D6ALDH1A1KMT2ACCR1OPRL1 | |
| SCHEMBL6485212 | 0.80 | CYP2D6 (0.57) | CYP2D6ALDH1A1KDM1A | |
| SCHEMBL6485916 | 0.80 | CYP2D6 (0.57) | CYP2D6ALDH1A1KDM1A | |
| SCHEMBL23799160 | 0.79 | CYP2D6 (0.56) | CYP2D6ALDH1A1CCR1OPRM1KDM1A | |
| SCHEMBL11121459 | 0.79 | CYP2D6 (0.70) | CYP2D6ALDH1A1MEN1KMT2ACCR1 | |
| SCHEMBL20066009 | 0.79 | CYP2D6 (0.51) | CYP2D6ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL9435468 | 0.78 | LTA4H (0.46) | CYP2D6ALDH1A1MEN1KMT2A |
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 |