Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 1/20 | 0.52 |
| ▸ | NQO2 | P16083 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | PLAU | P00749 | 2/20 | 0.42 |
| ▸ | F12 | P00748 | 1/20 | 0.42 |
| ▸ | NCF1 | P14598 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9111988 | 1.00 | S100A4 (0.52) | S100A4NQO2CYP2A6PLAUF12 | |
| SCHEMBL28977347 | 0.79 | S100A4 (0.58) | S100A4NQO2CYP2A6PLAUF12 | |
| SCHEMBL18868501 | 0.79 | S100A4 (0.58) | S100A4NQO2CYP2A6PLAUF12 | |
| SCHEMBL19143253 | 0.76 | S100A4 (0.55) | S100A4NQO2CYP2A6PLAUF12 | |
| SCHEMBL9111978 | 0.75 | FADS1 (0.38) | S100A4 | |
| SCHEMBL34473205 | 0.74 | PLAU (0.50) | S100A4NQO2CYP2A6PLAUF12 | |
| SCHEMBL291936 | 0.74 | CYP2A6 (0.55) | S100A4NQO2CYP2A6PLAUF12 | |
| SCHEMBL895053 | 0.74 | PLAU (0.50) | S100A4NQO2CYP2A6PLAUF12 | |
| SCHEMBL29578079 | 0.74 | S100A4 (0.69) | S100A4NQO2CYP2A6PLAUF12 | |
| SCHEMBL3170396 | 0.74 | S100A4 (0.69) | S100A4NQO2CYP2A6PLAUF12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0670831-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-09-13 | — | — | EP | disclosed |
| WO-1995009159-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1995-04-06 | — | — | WO | disclosed |