Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 6/20 | 0.38 |
| ▸ | JAK2 | O60674 | 3/20 | 0.38 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.36 |
| ▸ | JUN | P05412 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | RBP4 | P02753 | 9/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | AURKA | O14965 | 4/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.34 |
| ▸ | IL1B | P01584 | 1/20 | 0.34 |
| ▸ | FLT3 | P36888 | 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 | |
|---|---|---|---|---|
| SCHEMBL23933599 | 1.00 | GRIN2B (0.39) | GRIN2BJAK1JAK2SSTR4JUN | |
| SCHEMBL23933602 | 1.00 | GRIN2B (0.39) | GRIN2BJAK1JAK2SSTR4JUN | |
| SCHEMBL23956998 | 0.85 | NR1H2 (0.41) | GRIN2BJAK1JAK2SSTR4AURKA | |
| SCHEMBL25626701 | 0.85 | NR1H2 (0.41) | GRIN2BJAK1JAK2SSTR4AURKA | |
| SCHEMBL30455703 | 0.85 | NR1H2 (0.41) | GRIN2BJAK1JAK2SSTR4AURKA | |
| SCHEMBL23499504 | 0.84 | JAK1 (0.34) | JAK1JAK2AURKAAURKBFLT3 | |
| SCHEMBL23933533 | 0.83 | JAK1 (0.41) | JAK1JAK2SSTR4AURKA | |
| SCHEMBL23933530 | 0.83 | JAK1 (0.41) | JAK1JAK2SSTR4AURKA | |
| SCHEMBL23933526 | 0.83 | JAK1 (0.41) | JAK1JAK2SSTR4AURKA | |
| SCHEMBL23499503 | 0.82 | JAK1 (0.39) | GRIN2BJAK1JAK2AURKAAURKB |
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 |