Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PDCD1LG2 | Q9BQ51 | 2/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.32 |
| ▸ | TACR1 | P25103 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31316848 | 0.81 | DPP4 (0.42) | SLC6A4CYP2C19MAOAALDH1A1 | |
| SCHEMBL21009888 | 0.79 | ATM (0.46) | SLC6A4SLC6A2SLC6A3CYP2C19TDP1 | |
| SCHEMBL5428734 | 0.79 | DPP4 (0.41) | SLC6A4SLC6A2CYP2C19 | |
| SCHEMBL4628662 | 0.79 | DPP4 (0.41) | SLC6A4SLC6A2CYP2C19 | |
| SCHEMBL30481074 | 0.79 | ATM (0.46) | SLC6A4SLC6A2SLC6A3CYP2C19TDP1 | |
| SCHEMBL25187548 | 0.79 | DPP4 (0.41) | SLC6A4SLC6A2CYP2C19 | |
| SCHEMBL2986857 | 0.79 | CYP1A2 (0.58) | SLC6A4CYP2C19MAOAMAOBCA7 | |
| SCHEMBL7406881 | 0.78 | CYP2C19 (0.57) | CYP2C19ALDH1A1 | |
| SCHEMBL898390 | 0.78 | CYP2C19 (0.57) | CYP2C19ALDH1A1 | |
| SCHEMBL4629946 | 0.78 | CYP2C19 (0.57) | CYP2C19ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5420010-A | Assay for evaluating inhibition of polymorphonuclear leukocyte elastase by N-substituted azetidinones | MERCK & CO., INC. (US) | 1995-05-30 | — | — | US | disclosed |
| US-5276139-A | Antiinflammatory and antidegenerative diseases | MERCK & CO., INC. (US) | 1994-01-04 | — | — | US | disclosed |
| US-5274080-A | Binds to a urea-containing hapten | MERCK & CO., INC. (US) | 1993-12-28 | — | — | US | disclosed |
| US-5229267-A | Polymorphonuclear leukocytes, decomplexing, radioimmunoassay | MERCK & CO., INC. (US) | 1993-07-20 | — | — | US | disclosed |
| US-5229381-A | Inhibitors of leukocyte enzyme elastase | MERCK & CO., INC. (US) | 1993-07-20 | — | — | US | disclosed |
| EP-0529719-A1 | Assay for evaluating inhibition of PMN elastase by N-Substituted Azetidinones | MERCK & CO. INC. (US) | 1993-03-03 | — | — | EP | disclosed |
| EP-0481671-A1 | New substituted azetidinones as anti-inflammatory and antidegenerative agents | MERCK & CO. INC. (US) | 1992-04-22 | — | — | EP | disclosed |