Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 4/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | FGF23 | Q9GZV9 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL7922245 | 0.79 | PTGS2 (0.42) | PTGS1PTGS2ALDH1A1HTTMMP9 | |
| SCHEMBL7914072 | 0.77 | ALDH1A1 (0.59) | PTGS1PTGS2ALDH1A1SMN1; SMN2PLK1 | |
| SCHEMBL7922253 | 0.75 | LTA4H (0.39) | ALDH1A1SMN1; SMN2KDM4EPLK1MAPK1 | |
| SCHEMBL31092472 | 0.73 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2KDM4EHPGDPLK1 | |
| SCHEMBL7009830 | 0.73 | PTGS1 (0.40) | PTGS1PTGS2SLC6A3ALDH1A1SMN1; SMN2 | |
| SCHEMBL7014918 | 0.69 | PLK1 (0.50) | PTGS2ALDH1A1KDM4EHPGDPLK1 | |
| SCHEMBL7920862 | 0.68 | CASR (0.42) | PTGS1PTGS2ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL7914071 | 0.66 | MAPT (0.44) | ALDH1A1SMN1; SMN2TSHRMAPK1TDP1 | |
| SCHEMBL7014781 | 0.65 | PTGS1 (0.44) | PTGS1PTGS2SLC6A3ALDH1A1SMN1; SMN2 | |
| SCHEMBL2622585 | 0.63 | PTGS2 (0.68) | PTGS1PTGS2SLC6A3ALDH1A1SMN1; SMN2 |
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 |