Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 6/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.42 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 4/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | APAF1 | O14727 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.41 |
| ▸ | ABCC2 | Q92887 | 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 | |
|---|---|---|---|---|
| SCHEMBL6238927 | 1.00 | KCNH2 (0.45) | KCNH2NR1I2HTR2CPPARGMAPT | |
| SCHEMBL6542726 | 0.91 | KCNH2 (0.43) | KCNH2NR1I2HTR2CPPARGMAPT | |
| SCHEMBL7225660 | 0.91 | KCNH2 (0.43) | KCNH2NR1I2HTR2CPPARGMAPT | |
| SCHEMBL7225657 | 0.91 | KCNH2 (0.43) | KCNH2NR1I2HTR2CPPARGMAPT | |
| SCHEMBL6542731 | 0.91 | KCNH2 (0.43) | KCNH2NR1I2HTR2CPPARGMAPT | |
| SCHEMBL6237844 | 0.88 | TDP1 (0.49) | KCNH2NR1I2HTR2CPPARGMAPT | |
| SCHEMBL6237848 | 0.88 | TDP1 (0.49) | KCNH2NR1I2HTR2CPPARGMAPT | |
| SCHEMBL9877977 | 0.87 | NR1I2 (0.53) | KCNH2NR1I2HTR2CPPARGMAPT | |
| SCHEMBL9877969 | 0.87 | NR1I2 (0.53) | KCNH2NR1I2HTR2CPPARGMAPT | |
| SCHEMBL6760190 | 0.86 | NR1I2 (0.42) | NR1I2HTR2CPPARGMAPTALB |
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-1222194-B1 | 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF | TRINE PHARMACEUTICALS INC (US) | 2005-06-15 | — | — | EP | disclosed |
| US-6723716-B1 | BACTERICIDE FOR STAPHYLOCOCCUS | ESSENTIAL THERAPEUTICS, INC. | 2004-04-20 | — | — | US | disclosed |
| EP-1222194-A1 | 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF | Essential Therapeutics, Inc. (US) | 2002-07-17 | — | — | EP | disclosed |
| WO-2001021623-A1 | 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF | ESSENTIAL THERAPEUTICS, INC. (US) | 2001-03-29 | — | — | WO | disclosed |