Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | EDNRB | P24530 | 1/20 | 0.44 |
| ▸ | EDNRA | P25101 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | STAT1 | P42224 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | PDK3 | Q15120 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4958167 | 0.84 | CES2 (0.50) | CES2CES1LMNAKDM4EPOLB | |
| SCHEMBL2797715 | 0.84 | CES2 (0.50) | CES2CES1LMNAKDM4EPOLB | |
| SCHEMBL6288739 | 0.83 | CES2 (0.49) | CES2CES1LMNAKDM4EPOLB | |
| SCHEMBL1368545 | 0.83 | CES2 (0.49) | CES2CES1LMNAKDM4EPOLB | |
| SCHEMBL8615954 | 0.81 | PARP1 (0.49) | CES2CES1LMNAKDM4EPOLB | |
| SCHEMBL14166571 | 0.81 | CYP2C9 (0.49) | CES2CES1LMNAPARP1NPC1 | |
| SCHEMBL1356271 | 0.81 | AKR1C3 (0.52) | CES2CES1LMNAKDM4EPOLB | |
| SCHEMBL4138316 | 0.80 | ALDH1A1 (0.46) | CES2CES1LMNAKDM4EPARP1 | |
| SCHEMBL9654996 | 0.79 | PARP1 (0.50) | CES2CES1LMNAKDM4EPOLB | |
| SCHEMBL22285693 | 0.79 | CES2 (0.49) | CES2CES1LMNAKDM4EPOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1569935-B1 | HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS | NOVEXEL (FR) | 2008-08-20 | — | — | EP | disclosed |
| EP-1798231-A2 | Intermediate products for the preparation of antibacterial compounds | NOVEXEL (FR) | 2007-06-20 | — | — | EP | disclosed |
| EP-1399444-B1 | NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS | NOVEXEL (FR) | 2007-04-11 | — | — | EP | disclosed |
| EP-1569935-A1 | HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS | Aventis Pharma S.A. (FR) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004052891-A1 | HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS | AVENTIS PHARMA S.A. (FR) | 2004-06-24 | — | — | WO | disclosed |
| EP-1399444-A2 | NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS | Aventis Pharma S.A. (FR) | 2004-03-24 | — | — | EP | disclosed |
| WO-2002100860-A2 | HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS | AVENTIS PHARMA S.A. (FR) | 2002-12-19 | — | — | WO | disclosed |