Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 5/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.39 |
| ▸ | ELAVL1 | Q15717 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | NOD2 | Q9HC29 | 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 | |
|---|---|---|---|---|
| SCHEMBL28642111 | 0.93 | HTR6 (0.39) | HTR6CYP3A4PKM | |
| SCHEMBL30427497 | 0.92 | HTR6 (0.38) | HTR6ALDH3A1ELAVL1CYP3A4CYP2D6 | |
| SCHEMBL30427940 | 0.89 | PTGS2 (0.39) | HTR6ALDH3A1ELAVL1CYP3A4CYP2D6 | |
| SCHEMBL28641994 | 0.89 | HTR6 (0.42) | HTR6CYP19A1ALDH1A1LMNATSHR | |
| SCHEMBL1580851 | 0.89 | CYP11B1 (0.43) | HTR6CYP3A4MEN1KMT2ACYP19A1 | |
| Hydrochloric Acid SCHEMBL1156834 | 0.88 | CYP11B1 (0.43) | HTR6CYP3A4MEN1KMT2ACYP19A1 | |
| SCHEMBL1580948 | 0.87 | ALDH1A1 (0.40) | HTR6ALDH3A1ELAVL1CYP3A4CYP2D6 | |
| SCHEMBL24884323 | 0.86 | HTR6 (0.32) | HTR6PTGS2 | |
| Hydrochloric Acid SCHEMBL1157302 | 0.86 | ALDH1A1 (0.40) | HTR6ALDH3A1ELAVL1CYP3A4CYP2D6 | |
| SCHEMBL1156132 | 0.86 | ELAVL1 (0.42) | HTR6ALDH3A1ELAVL1CYP3A4CYP2D6 |
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 |