Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTAFR | P25105 | 3/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.35 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10044447 | 0.85 | BRD4 (0.45) | PTAFRBRD4CYP1A2TUBB1ERN1 | |
| SCHEMBL10044607 | 0.83 | CYP1A2 (0.44) | BRD4CYP1A2LMNAALOX5TUBB1 | |
| SCHEMBL15180052 | 0.82 | CA1 (0.39) | PTAFRBRD4CYP1A2LMNATUBB1 | |
| SCHEMBL10044948 | 0.79 | ALDH1A1 (0.45) | BRD4CYP1A2LMNAALOX5ALDH1A1 | |
| SCHEMBL10044958 | 0.73 | CYP1A2 (0.65) | CYP1A2ALOX5TUBB1ALDH1A1 | |
| SCHEMBL10044441 | 0.68 | BRD4 (0.40) | PTAFRBRD4CYP1A2ALDH1A1 | |
| SCHEMBL18292053 | 0.67 | MAPK1 (0.58) | BRD4CYP1A2TUBB1SMN1; SMN2ALDH1A1 | |
| SCHEMBL10044605 | 0.66 | BRD4 (0.55) | BRD4CYP1A2TUBB1TSHR | |
| SCHEMBL18292070 | 0.66 | SMN1; SMN2 (0.59) | BRD4CYP1A2LMNATUBB1SMN1; SMN2 | |
| SCHEMBL2945602 | 0.65 | ALDH1A1 (0.48) | CYP1A2SMN1; SMN2ALDH1A1 |
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 |