Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | P2RX3 | P56373 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CCR1 | P32246 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5632939 | 0.89 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDHSD11B1GAA | |
| SCHEMBL7434354 | 0.85 | ALDH1A1 (0.54) | ALDH1A1KDM4EHPGDHSD11B1GAA | |
| SCHEMBL8260150 | 0.85 | ALDH1A1 (0.54) | ALDH1A1KDM4EHPGDHSD11B1GAA | |
| SCHEMBL17977269 | 0.85 | ALDH1A1 (0.54) | ALDH1A1KDM4EHPGDHSD11B1GAA | |
| SCHEMBL12616359 | 0.85 | HSD11B1 (0.49) | ALDH1A1KDM4EHPGDHSD11B1SMN1; SMN2 | |
| SCHEMBL7436135 | 0.84 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDHSD11B1GAA | |
| SCHEMBL7430439 | 0.84 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDHSD11B1GAA | |
| SCHEMBL8810459 | 0.83 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDGAATSHR | |
| SCHEMBL8810455 | 0.83 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDGAATSHR | |
| SCHEMBL8810449 | 0.83 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDGAATSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5229381-A | Inhibitors of leukocyte enzyme elastase | MERCK & CO., INC. (US) | 1993-07-20 | — | — | US | disclosed |
| EP-0481671-A1 | New substituted azetidinones as anti-inflammatory and antidegenerative agents | MERCK & CO. INC. (US) | 1992-04-22 | — | — | EP | disclosed |
| EP-0337549-A1 | New substituted azetidinones as anti-inflammatory and antidegenerative agents | MERCK & CO. INC. (US) | 1989-10-18 | — | — | EP | disclosed |
| US-4680391-A | Substituted azetidinones as anti-inflammatory and antidegenerative agents | MERCK & CO., INC. (US) | 1987-07-14 | — | — | US | disclosed |
| EP-0199630-A1 | Substituted azetidinones, pharmaceutical compositions containing them, and their use for the manufacture of anti-inflammatory and antidegenerative medicaments | MERCK & CO. INC. (US) | 1986-10-29 | — | — | EP | disclosed |