Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL30427360 | 0.88 | TSHR (0.40) | ALDH3A1TSHRPTGS2PTGS1GAA | |
| SCHEMBL30426876 | 0.83 | MAPK1 (0.38) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL25193465 | 0.83 | MAPK1 (0.38) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL31019956 | 0.74 | PTGS2 (0.35) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL31019954 | 0.73 | EPAS1 (0.36) | TSHRPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL31019948 | 0.72 | PTGS2 (0.36) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL30427210 | 0.70 | MEN1 (0.39) | ALDH3A1TSHRPTGS2PTGS1POLB | |
| SCHEMBL30428083 | 0.70 | TRPA1 (0.36) | PTGS2PTGS1TRPA1 | |
| SCHEMBL1074010 | 0.64 | PTGS2 (0.52) | PTGS2PTGS1 | |
| SCHEMBL2040694 | 0.63 | PDE10A (0.41) | PDE10A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023090942-A1 | PYRROLE DERIVATIVE OR PHARMACEUTICALLY OR SITOLOGICALLY ACCEPTABLE SALT THEREOF, AND COMPOSITION FOR PREVENTION, AMELIORATION OR TREATMENT OF GASTROINTESTINAL DISORDERS COMPRISING SAME AS ACTIVE INGREDIENT | 하나제약 주식회사 | 2023-05-25 | — | — | WO | disclosed |