Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1D1 | P20393 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.31 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.31 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.31 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.31 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.31 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4145065 | 0.89 | NR1D1 (0.33) | NR1D1KEAP1NFE2L2MTNR1AMTNR1B | |
| SCHEMBL4693024 | 0.79 | — | — | |
| SCHEMBL5261114 | 0.75 | EDNRB (0.33) | MTNR1AMTNR1B | |
| SCHEMBL4694865 | 0.72 | HPGD (0.38) | NR1D1MTNR1AMTNR1BHPGDAKR1C3 | |
| SCHEMBL4149087 | 0.68 | PTPN2 (0.30) | — | |
| SCHEMBL5186385 | 0.68 | EDNRB (0.32) | — | |
| SCHEMBL9037513 | 0.68 | PTGS2 (0.55) | HPGDAKR1C3AKR1C2PTGS1CYP1A2 | |
| SCHEMBL4694876 | 0.67 | MEN1 (0.36) | SIGMAR1AKR1C3AKR1C2CYP1A2 | |
| SCHEMBL4138810 | 0.65 | MAPT (0.37) | MTNR1AMTNR1BHPGD | |
| SCHEMBL4693831 | 0.65 | AKR1C3 (0.44) | HPGDAKR1C3AKR1C2AKR1C1PTGS1 |
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 |