Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | SNCA | P37840 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.33 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.33 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.33 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27897142 | 0.87 | CYP1A2 (0.39) | CYP1A2SNCAALOX15ALOX12PDK1 | |
| SCHEMBL16961286 | 0.83 | PDK1 (0.51) | CYP1A2SNCAALOX15ALOX12PDK1 | |
| SCHEMBL28531178 | 0.81 | CYP1A2 (0.44) | CYP1A2SNCAALOX15ALOX12PDK1 | |
| SCHEMBL7534585 | 0.81 | CYP1A2 (0.40) | CYP1A2SNCAALOX15PDK1TSHR | |
| SCHEMBL14713516 | 0.81 | TDP1 (0.52) | CYP1A2SNCAALOX15ALOX12PDK1 | |
| SCHEMBL16961402 | 0.80 | PDK1 (0.42) | CYP1A2SNCAALOX15ALOX12PDK1 | |
| SCHEMBL136817 | 0.79 | CYP1A2 (0.62) | CYP1A2TSHRALDH1A1CYP3A4HPGD | |
| SCHEMBL1199050 | 0.79 | S100A4 (0.46) | CYP1A2SNCAALOX15ALOX12PDK1 | |
| SCHEMBL29561732 | 0.79 | S100A4 (0.46) | CYP1A2SNCAALOX15ALOX12PDK1 | |
| SCHEMBL4267066 | 0.79 | SNCA (0.44) | CYP1A2SNCAALOX15ALOX12PDK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002020630-A1 | PROCESS FOR THE PREPARATION OF GLYCEROL-BASED CROSSLINKED POLYMERIC GELS | LIPAL BIOCHEMICALS (CH) | 2002-03-14 | — | — | WO | claimed |
| CN-105101970-B | β -lactamase inhibitor | 维纳拓尔斯制药公司 | 2018-11-20 | — | — | CN | disclosed |
| CN-104817519-B | The derivant of one class CA-4, its preparation method and medical usage thereof | 中国药科大学 | 2016-11-16 | — | — | CN | disclosed |
| CN-105101970-A | Beta-lactamase inhibitors | VENATORX PHARMACEUTICALS INC | 2015-11-25 | — | — | CN | disclosed |
| WO-2002020630-A1 | PROCESS FOR THE PREPARATION OF GLYCEROL-BASED CROSSLINKED POLYMERIC GELS | LIPAL BIOCHEMICALS (CH) | 2002-03-14 | — | — | WO | disclosed |