Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.56 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28485556 | 1.00 | NR1H2 (0.56) | NR1H2BRD4CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL28699400 | 1.00 | NR1H2 (0.56) | NR1H2BRD4CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL2201456 | 1.00 | NR1H2 (0.56) | NR1H2BRD4CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL342785 | 0.84 | NR1H2 (0.43) | NR1H2 | |
| SCHEMBL342786 | 0.84 | NR1H2 (0.43) | NR1H2 | |
| SCHEMBL342787 | 0.84 | NR1H2 (0.43) | NR1H2 | |
| SCHEMBL25348810 | 0.83 | NR1H2 (0.41) | NR1H2BRD4GRIN2B | |
| SCHEMBL5143837 | 0.83 | NR1H2 (0.41) | NR1H2BRD4GRIN2B | |
| SCHEMBL1299334 | 0.81 | — | — | |
| SCHEMBL1439352 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4139303-A1 | CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | Vanderbilt University (US) | 2023-03-01 | — | — | EP | disclosed |
| WO-2021216951-A1 | CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | VANDERBILT UNIVERSITY (US) | 2021-10-28 | — | — | WO | disclosed |