Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 4/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | SLC15A2 | Q16348 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7225657 | 1.00 | KCNH2 (0.43) | KCNH2NR1I2PPARGESR1PGR | |
| SCHEMBL6542726 | 1.00 | KCNH2 (0.43) | KCNH2NR1I2PPARGESR1PGR | |
| SCHEMBL7225660 | 1.00 | KCNH2 (0.43) | KCNH2NR1I2PPARGESR1PGR | |
| SCHEMBL6233533 | 0.91 | KCNH2 (0.45) | KCNH2NR1I2PPARGESR1PGR | |
| SCHEMBL6238927 | 0.91 | KCNH2 (0.45) | KCNH2NR1I2PPARGESR1PGR | |
| SCHEMBL16181564 | 0.90 | HSD17B10 (0.46) | KCNH2NR1I2PPARGESR1PGR | |
| SCHEMBL7542677 | 0.89 | NR1I2 (0.51) | NR1I2PPARGESR1PGRHSD17B10 | |
| SCHEMBL7542672 | 0.89 | NR1I2 (0.51) | NR1I2PPARGESR1PGRHSD17B10 | |
| SCHEMBL1947682 | 0.88 | KCNH2 (0.43) | KCNH2NR1I2PPARGESR1PGR | |
| SCHEMBL2595984 | 0.88 | KCNH2 (0.43) | KCNH2NR1I2PPARGESR1PGR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1333836-A4 | CEPHALOSPORIN ANTIBIOTICS AND PRODRUGS THEREOF | ESSENTIAL THERAPEUTICS INC (US) | 2004-07-07 | — | — | EP | disclosed |
| EP-1333836-A2 | CEPHALOSPORIN ANTIBIOTICS AND PRODRUGS THEREOF | Essential Therapeutics, Inc. (US) | 2003-08-13 | — | — | EP | disclosed |
| WO-2002017854-A2 | CEPHALOSPORIN ANTIBIOTICS AND PRODRUGS THEREOF | ESSENTIAL THERAPEUTICS, INC. (US) | 2002-03-07 | — | — | WO | disclosed |