Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LIG1 | P18858 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 3/20 | 0.35 |
| ▸ | GYS1 | P13807 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 5/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.32 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.32 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.32 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.32 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4144345 | 0.90 | MEN1 (0.38) | MEN1KMT2ALIG1FAAHACE | |
| SCHEMBL4142735 | 0.83 | NPC1 (0.40) | GYS1NPC1POLBRAB9A | |
| SCHEMBL5255838 | 0.83 | NPC1 (0.40) | GYS1NPC1POLBRAB9A | |
| SCHEMBL5255462 | 0.83 | HTR1A (0.36) | NPC1HTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5255876 | 0.81 | MEN1 (0.37) | MEN1KMT2ALIG1NPC1POLB | |
| SCHEMBL5254943 | 0.79 | NPC1 (0.38) | ACENPC1RAB9A | |
| SCHEMBL5253676 | 0.77 | ACE (0.36) | LIG1FAAHACEPOLB | |
| SCHEMBL4139603 | 0.75 | MEN1 (0.39) | MEN1KMT2ALIG1NPC1POLB | |
| SCHEMBL5186348 | 0.75 | POLB (0.38) | FAAHNPC1POLBRAB9A | |
| SCHEMBL5187180 | 0.74 | KMT2A (0.38) | MEN1KMT2AHTR1ASLC6A2SLC6A4 |
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-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 |