Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 5/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | ALB | P02768 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.44 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.44 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | FAP | Q12884 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8444999 | 1.00 | NR1I2 (0.46) | NR1I2HTR2CPTGS1ABCB11PDE4D | |
| SCHEMBL8443056 | 0.93 | NR1I2 (0.41) | NR1I2HTR2CPTGS1ABCB11PDE4D | |
| SCHEMBL9363531 | 0.93 | NR1I2 (0.41) | NR1I2HTR2CPTGS1ABCB11PDE4D | |
| SCHEMBL8443059 | 0.93 | NR1I2 (0.41) | NR1I2HTR2CPTGS1ABCB11PDE4D | |
| SCHEMBL8442679 | 0.92 | PTGS1 (0.38) | NR1I2HTR2CPTGS1ABCB11PDE4D | |
| SCHEMBL8442678 | 0.92 | PTGS1 (0.38) | NR1I2HTR2CPTGS1ABCB11PDE4D | |
| SCHEMBL9363895 | 0.92 | PTGS1 (0.38) | NR1I2HTR2CPTGS1ABCB11PDE4D | |
| SCHEMBL8445170 | 0.91 | TDP1 (0.43) | NR1I2HTR2CPTGS1ABCB11PDE4D | |
| SCHEMBL8445168 | 0.91 | TDP1 (0.43) | NR1I2HTR2CPTGS1ABCB11PDE4D | |
| SCHEMBL8492369 | 0.89 | PTGS1 (0.52) | NR1I2HTR2CPTGS1ABCB11PDE4D |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0594263-B1 | INTERMEDIATES FOR THE PREPARATION OF THIOALKYLTHIO CEPHALOSPORIN DERIVATIVES | SHIONOGI & CO (JP) | 1999-06-09 | — | — | EP | disclosed |
| US-5352792-A | Bactericides | SHIONOGI & CO., LTD. (JP) | 1994-10-04 | — | — | US | disclosed |
| EP-0467647-B1 | Thioalkylthio cephalosporin derivatives | SHIONOGI & CO (JP) | 1994-08-17 | — | — | EP | disclosed |
| EP-0594263-A1 | Thioalkylthio cephalosporin derivatives and intermediates | SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) | 1994-04-27 | — | — | EP | disclosed |
| US-5214037-A | Antibiotic, bactericide | SHIONOGI & CO., LTD. (JP) | 1993-05-25 | — | — | US | disclosed |
| EP-0467647-A2 | Thioalkylthio cephalosporin derivatives | SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) | 1992-01-22 | — | — | EP | disclosed |