Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | STAT3 | P40763 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.30 |
| ▸ | RCE1 | Q9Y256 | 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 | |
|---|---|---|---|---|
| SCHEMBL27042813 | 1.00 | NPSR1 (0.38) | NPSR1ALDH1A1CYP1A2CYP2C19RXFP1 | |
| SCHEMBL952325 | 0.75 | ALDH1A1 (0.56) | NPSR1ALDH1A1CYP1A2CYP2C19RXFP1 | |
| SCHEMBL12926063 | 0.74 | NPSR1 (0.45) | NPSR1ALDH1A1CYP1A2CYP2C19RXFP1 | |
| SCHEMBL27042595 | 0.71 | SLC6A3 (0.39) | NPSR1ALDH1A1CYP1A2CYP2C19RXFP1 | |
| SCHEMBL27042715 | 0.68 | ALDH1A1 (0.40) | NPSR1ALDH1A1CYP1A2CYP2C19RXFP1 | |
| SCHEMBL12926064 | 0.67 | NPSR1 (0.45) | NPSR1ALDH1A1CYP1A2CYP2C19RXFP1 | |
| SCHEMBL27042735 | 0.67 | TSHR (0.37) | NPSR1ALDH1A1CYP1A2SMN1; SMN2KDM4E | |
| SCHEMBL27042965 | 0.67 | TSHR (0.37) | NPSR1ALDH1A1CYP1A2SMN1; SMN2KDM4E | |
| SCHEMBL18722036 | 0.66 | NPSR1 (0.43) | NPSR1ALDH1A1CYP1A2CYP2C19RXFP1 | |
| SCHEMBL27042692 | 0.64 | ALDH1A1 (0.37) | NPSR1ALDH1A1CYP1A2CYP2C19RXFP1 |
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-2024017855-A1 | NOVEL ISOTHIAZOL-3-YL AND ISOXAZOL-3-YL SULFONAMIDE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2024-01-25 | — | — | WO | disclosed |