Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 2/20 | 0.38 |
| ▸ | MMP2 | P08253 | 2/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.35 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.33 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL105821 | 0.70 | ALDH1A3 (0.47) | MMP3MMP2ALDH1A1CYP2A6HRH3 | |
| SCHEMBL7541985 | 0.66 | IRAK4 (0.38) | IRAK4MMP3MMP2KIF11ALDH1A1 | |
| SCHEMBL26246 | 0.63 | MMP3 (0.74) | MMP3MMP2KIF11ALDH1A1CYP2A6 | |
| SCHEMBL13063633 | 0.63 | MMP3 (0.74) | MMP3MMP2KIF11ALDH1A1CYP2A6 | |
| SCHEMBL396846 | 0.63 | MMP3 (0.74) | MMP3MMP2KIF11ALDH1A1CYP2A6 | |
| Water SCHEMBL11055485 | 0.63 | MMP3 (0.74) | MMP3MMP2KIF11ALDH1A1CYP2A6 | |
| SCHEMBL19356863 | 0.63 | MMP3 (0.52) | PTGS2MMP3KIF11ALDH1A1CYP2A6 | |
| SCHEMBL11523846 | 0.62 | GRIA1 (0.50) | ALDH1A1HRH3HRH2HRH1GRIA1 | |
| SCHEMBL11523842 | 0.62 | GRIA1 (0.50) | ALDH1A1HRH3HRH2HRH1GRIA1 | |
| SCHEMBL12263202 | 0.62 | MMP3 (0.52) | MMP3MMP2KIF11ALDH1A1CYP2A6 |
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-1135365-A1 | 4-3-SUBSTITUTED-AMINO-CYCLOBUT-3-ENE-1,2-DIONES AND USE FOR INFLUENCING SMOOTH MUSCLE CONTRACTION | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-09-26 | — | — | EP | disclosed |
| WO-2000034230-A1 | 4-3-SUBSTITUTED-AMINO-CYCLOBUT-3-ENE-1,2-DIONES AND USE FOR INFLUENCING SMOOTH MUSCLE CONTRACTION | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-15 | — | — | WO | disclosed |