Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CCR5 | P51681 | 5/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.38 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | TACR3 | P29371 | 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 | |
|---|---|---|---|---|
| SCHEMBL23778421 | 0.90 | CCR5 (0.47) | CYP2D6CCR5KCNH2USP30HRH3 | |
| SCHEMBL23778261 | 0.88 | CYP2D6 (0.53) | CYP2D6CCR5KCNH2USP30HRH3 | |
| SCHEMBL23778377 | 0.85 | CYP2D6 (0.58) | CYP2D6CCR5KCNH2USP30HRH3 | |
| SCHEMBL23778460 | 0.85 | CYP2D6 (0.58) | CYP2D6CCR5KCNH2USP30HRH3 | |
| SCHEMBL23778327 | 0.84 | CYP2D6 (0.50) | CYP2D6CCR5KCNH2USP30HRH3 | |
| SCHEMBL23778241 | 0.84 | CYP2D6 (0.50) | CYP2D6CCR5KCNH2USP30HRH3 | |
| SCHEMBL23778339 | 0.83 | HSD11B1 (0.45) | CYP2D6CCR5KCNH2USP30HRH3 | |
| SCHEMBL23778319 | 0.83 | HSD11B1 (0.45) | CYP2D6CCR5KCNH2USP30HRH3 | |
| SCHEMBL23778248 | 0.81 | CYP2D6 (0.43) | CYP2D6CCR5KCNH2USP30HRH3 | |
| SCHEMBL23778224 | 0.81 | CYP2D6 (0.44) | CYP2D6CCR5KCNH2USP30HRH3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109996792-B | Heterocyclic compounds having activity as modulators of muscarinic M1 and/or M4 receptors in the treatment of CNS diseases and pain | 赫普泰雅治疗有限公司 | 2023-02-17 | — | — | CN | claimed |
| 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 |