Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.45 |
| ▸ | AGXT | P21549 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | IDH1 | O75874 | 1/20 | 0.41 |
| ▸ | NPY2R | P49146 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.39 |
| ▸ | LOX | P28300 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6344125 | 0.82 | CYP2A6 (0.51) | CYP2A6AGXTADRB2ASIC3LOXL2 | |
| SCHEMBL1444257 | 0.82 | CYP2A6 (0.45) | CYP2A6AGXTADRB2ASIC3LOXL2 | |
| Ammonia Solution, Strong SCHEMBL6237737 | 0.81 | CYP2A6 (0.50) | CYP2A6AGXTADRB2ASIC3LOXL2 | |
| SCHEMBL1445507 | 0.80 | CYP2A6 (0.53) | CYP2A6AGXTADRB2ASIC3LOXL2 | |
| SCHEMBL9743497 | 0.80 | CYP4F2 (0.49) | CYP2A6AGXTADRB2ASIC3LOXL2 | |
| SCHEMBL436458 | 0.79 | CYP2A6 (0.51) | CYP2A6AGXTADRB2ASIC3LOXL2 | |
| Tetrylammonium SCHEMBL6237150 | 0.78 | CYP2A6 (0.44) | CYP2A6AGXTADRB2ASIC3LOXL2 | |
| SCHEMBL793123 | 0.76 | HDAC3 (0.47) | CYP2A6AGXTADRB2ASIC3LOXL2 | |
| SCHEMBL4231274 | 0.76 | CYP2A6 (0.51) | CYP2A6AGXTADRB2ASIC3LOXL2 | |
| SCHEMBL7023102 | 0.76 | CYP2A6 (0.47) | CYP2A6AGXTADRB2ASIC3LOXL2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011036680-A2 | IMPROVED PROCESS FOR THE PREPARATION OF (±)-1-(1-BENZO[B]THIEN-2-YLETHYL)-1-HYDROXYUREA | MSN LABORATORIES LIMITED (IN) | 2011-03-31 | — | — | WO | claimed |
| WO-2011036680-A2 | IMPROVED PROCESS FOR THE PREPARATION OF (±)-1-(1-BENZO[B]THIEN-2-YLETHYL)-1-HYDROXYUREA | MSN LABORATORIES LIMITED (IN) | 2011-03-31 | — | — | WO | disclosed |