Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.33 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 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 | |
|---|---|---|---|---|
| SCHEMBL8598123 | 0.90 | HDAC1 (0.36) | ADAMTS5POLBCNR2MAPTGAA | |
| SCHEMBL23919414 | 0.82 | POLB (0.47) | POLBMAPTGAACXCR1CXCR2 | |
| SCHEMBL8604153 | 0.82 | POLB (0.39) | ADAMTS5POLBCNR2MAPTGAA | |
| SCHEMBL7597268 | 0.80 | PLK1 (0.43) | ADAMTS5POLB | |
| SCHEMBL9749015 | 0.77 | CCNE2 (0.42) | ADAMTS5MAPTGAAALDH1A1MEN1 | |
| Squaric Acid Dibutyl Ester SCHEMBL56180 | 0.75 | CYP3A4 (0.44) | MAPTALDH1A1CA12CA1CA2 | |
| SCHEMBL7597357 | 0.75 | ADAMTS5 (0.38) | ADAMTS5POLBCNR2MAPTGAA | |
| SCHEMBL7602487 | 0.72 | ADAMTS5 (0.37) | ADAMTS5POLBMAPTGAANPC1 | |
| SCHEMBL9749261 | 0.71 | ADAMTS5 (0.36) | ADAMTS5POLBMAPTGAANPC1 | |
| SCHEMBL9748925 | 0.71 | ADAMTS5 (0.39) | ADAMTS5POLBCNR2MAPTGAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934257-B1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | WYETH CORP (US) | 2002-12-11 | — | — | EP | disclosed |
| EP-1151990-A1 | Substituted N-arylmethylamino derivatives of cyclobutene-3, 4-diones | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-11-07 | — | — | EP | disclosed |
| US-5780505-A | ADMINISTERING AS SMOOTH MUSCLE RELAXANT | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-07-14 | — | — | US | disclosed |
| US-5763474-A | SMOOTH MUSCLE RELAXANTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-06-09 | — | — | US | disclosed |