Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.48 |
| ▸ | MAP2K4 | P45985 | 3/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 2/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | FADS1 | O60427 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15529807 | 1.00 | GSK3B (0.48) | GSK3BMAP2K4TRPA1PDPK1JAK2 | |
| SCHEMBL1551001 | 0.87 | MAP2K4 (0.48) | GSK3BMAP2K4TRPA1PDPK1JAK2 | |
| SCHEMBL30548017 | 0.84 | FADS1 (0.49) | GSK3BPDPK1JAK2NOS1DYRK1A | |
| SCHEMBL15332567 | 0.84 | FADS1 (0.49) | GSK3BPDPK1JAK2NOS1DYRK1A | |
| SCHEMBL14738828 | 0.79 | MAP2K4 (0.63) | GSK3BMAP2K4TRPA1PDPK1NOS1 | |
| SCHEMBL3593032 | 0.79 | MAP2K4 (0.50) | GSK3BMAP2K4TRPA1JAK2NOS1 | |
| SCHEMBL4502873 | 0.78 | PDPK1 (0.60) | GSK3BMAP2K4TRPA1PDPK1JAK2 | |
| SCHEMBL31735799 | 0.76 | MAP2K4 (0.47) | GSK3BMAP2K4TRPA1NOS1DAO | |
| SCHEMBL18764465 | 0.76 | PDPK1 (0.44) | GSK3BMAP2K4PDPK1JAK2NOS1 | |
| SCHEMBL1553907 | 0.76 | MAP2K4 (0.47) | GSK3BMAP2K4TRPA1NOS1DAO |
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-4447954-A1 | HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS | Icahn School of Medicine at Mount Sinai (US) | 2024-10-23 | — | — | EP | disclosed |
| WO-2023114472-A1 | HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2023-06-22 | — | — | WO | disclosed |