Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 2/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.36 |
| ▸ | PDE6D | O43924 | 1/20 | 0.36 |
| ▸ | PDE6A | P16499 | 1/20 | 0.36 |
| ▸ | PDE6G | P18545 | 1/20 | 0.36 |
| ▸ | PDE6B | P35913 | 1/20 | 0.36 |
| ▸ | PDE6C | P51160 | 1/20 | 0.36 |
| ▸ | PDE6H | Q13956 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14183056 | 0.80 | MEN1 (0.40) | ACHEPOLBMEN1KMT2ALMNA | |
| SCHEMBL684136 | 0.80 | ACHE (0.52) | ACHELMNAMAPTCYP3A4CA9 | |
| SCHEMBL15180051 | 0.77 | POLB (0.39) | ACHEPOLBMEN1KMT2ALMNA | |
| SCHEMBL16838792 | 0.76 | ALDH1A1 (0.42) | POLBMEN1KMT2AMAPTCYP3A4 | |
| SCHEMBL18072590 | 0.76 | MEN1 (0.50) | POLBMEN1KMT2ALMNAMAPT | |
| SCHEMBL14183048 | 0.76 | MEN1 (0.47) | POLBMEN1KMT2ALMNAMAPT | |
| SCHEMBL4189560 | 0.75 | MEN1 (0.36) | POLBMEN1KMT2ALMNAMAPT | |
| SCHEMBL27982688 | 0.72 | POLB (0.36) | POLBMEN1KMT2ALMNAMAPT | |
| SCHEMBL19286922 | 0.72 | ACHE (0.60) | ACHEPOLBMEN1KMT2ALMNA | |
| SCHEMBL21276080 | 0.71 | MEN1 (0.39) | ACHEPOLBMEN1KMT2AMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012052420-A1 | METHOD FOR PREPARING SUBSTITUTED N-(3-AMINO-QUINOXALIN-2-YL)-SULFONAMIDES AND THEIR INTERMEDIATES N-(3-CHLORO-QUINOXALIN-2-YL)SULFONAMIDES | MERCK SERONO S.A. GENEVA (CH) | 2012-04-26 | — | — | WO | disclosed |