Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | PTAFR | P25105 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL18639409 | 0.84 | MAPK1 (0.47) | BRD4CYP1A2ALDH1A1CYP1A1CYP1B1 | |
| SCHEMBL10044447 | 0.83 | BRD4 (0.45) | BRD4CYP1A2PTAFRL3MBTL1 | |
| SCHEMBL15180036 | 0.81 | CA1 (0.39) | PDE4BPTGS2CYP1A2PTAFRALDH1A1 | |
| SCHEMBL10044605 | 0.78 | BRD4 (0.55) | BRD4CYP1A2MAPK1L3MBTL1 | |
| SCHEMBL16480614 | 0.77 | PDE4B (0.43) | PDE4BPTGS2L3MBTL1 | |
| SCHEMBL10044945 | 0.75 | L3MBTL1 (0.45) | BRD4CYP1A2ALDH1A1MAPK1NQO2 | |
| SCHEMBL10044524 | 0.73 | BRD4 (0.38) | BRD4CYP1A2CYP1A1CYP1B1MAPK1 | |
| SCHEMBL10044942 | 0.73 | BRD4 (0.48) | BRD4CYP1A2ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL684136 | 0.72 | ACHE (0.52) | CYP1A2ALDH1A1CYP3A4CYP1A1CYP1B1 | |
| SCHEMBL18292053 | 0.72 | MAPK1 (0.58) | BRD4PTGS2CYP1A2ALDH1A1CYP3A4 |
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 |