Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | SCN1A | P35498 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TERT | O14746 | 2/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10044445 | 0.84 | LMNA (0.48) | ALDH1A1BRD4CYP1A2LMNADRD2 | |
| SCHEMBL10044607 | 0.83 | CYP1A2 (0.44) | ALDH1A1BRD4CYP1A2LMNATERT | |
| SCHEMBL15180061 | 0.81 | ALDH1A1 (0.47) | ALDH1A1BRD4LMNADRD2SCN1A | |
| SCHEMBL10044952 | 0.79 | PTAFR (0.39) | ALDH1A1BRD4CYP1A2LMNAALOX5 | |
| SCHEMBL10044958 | 0.73 | CYP1A2 (0.65) | ALDH1A1CYP1A2MEN1KMT2AALOX5 | |
| SCHEMBL18292053 | 0.67 | MAPK1 (0.58) | ALDH1A1BRD4CYP1A2 | |
| SCHEMBL10044605 | 0.66 | BRD4 (0.55) | BRD4CYP1A2 | |
| SCHEMBL18292070 | 0.66 | SMN1; SMN2 (0.59) | ALDH1A1BRD4CYP1A2LMNAMEN1 | |
| SCHEMBL2945602 | 0.65 | ALDH1A1 (0.48) | ALDH1A1CYP1A2KMT2A | |
| SCHEMBL13310341 | 0.65 | MAPT (0.40) | BRD4CYP1A2ALOX5 |
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 |