Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | BRD4 | O60885 | 2/20 | 0.43 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TERT | O14746 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10044948 | 0.83 | ALDH1A1 (0.45) | CYP1A2ALOX5BRD4LMNAALDH1A1 | |
| SCHEMBL10044952 | 0.83 | PTAFR (0.39) | CYP1A2ALOX5BRD4TUBB1LMNA | |
| SCHEMBL13310341 | 0.80 | MAPT (0.40) | CYP1A2ALOX5BRD4TUBB1MAPT | |
| SCHEMBL10044958 | 0.79 | CYP1A2 (0.65) | CYP1A2ALOX5TUBB1PTGS2ALDH1A1 | |
| SCHEMBL2722382 | 0.79 | TUBB1 (0.43) | CYP1A2BRD4TUBB1MAPTL3MBTL1 | |
| SCHEMBL15180030 | 0.77 | CA1 (0.46) | CYP1A2BRD4TUBB1MAPTHPGD | |
| SCHEMBL18292070 | 0.75 | SMN1; SMN2 (0.59) | CYP1A2BRD4TUBB1MAPTHPGD | |
| SCHEMBL22609994 | 0.73 | TNKS2 (0.62) | TUBB1L3MBTL1TNKS2SMN1; SMN2 | |
| SCHEMBL18292053 | 0.73 | MAPK1 (0.58) | CYP1A2BRD4TUBB1PTGS2ALDH1A1 | |
| SCHEMBL29750765 | 0.73 | CYP3A4 (0.57) | ALOX5TUBB1MAPTL3MBTL1TNKS2 |
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 |