Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.32 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.32 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.30 |
| ▸ | METAP1 | P53582 | 1/20 | 0.30 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.30 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.30 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.30 |
| ▸ | CFTR | P13569 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4659869 | 0.79 | CYP17A1 (0.38) | CYP17A1BRAFKCNQ4KCNQ5SYK | |
| SCHEMBL3467391 | 0.76 | ATR (0.41) | CYP17A1BRAFKCNQ4KCNQ5SYK | |
| SCHEMBL2768179 | 0.74 | — | — | |
| SCHEMBL14783859 | 0.68 | CFTR (0.44) | CYP17A1MAPK3AAK1RXFP1METAP1 | |
| SCHEMBL5785487 | 0.68 | AAK1 (0.48) | CYP17A1AAK1 | |
| SCHEMBL31662566 | 0.68 | AAK1 (0.48) | CYP17A1AAK1 | |
| SCHEMBL3644417 | 0.67 | — | — | |
| SCHEMBL3644418 | 0.67 | — | — | |
| SCHEMBL14725520 | 0.66 | CYP17A1 (0.48) | CYP17A1BRAFKCNQ4KCNQ5SYK | |
| SCHEMBL14784342 | 0.66 | CFTR (0.49) | MAPK3AAK1RXFP1METAP1CFTR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2167196-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS | Glaxo Group Limited (GB) | 2010-03-31 | — | — | EP | disclosed |
| WO-2009000745-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS | GLAXO GROUP LIMITED (GB) | 2008-12-31 | — | — | WO | disclosed |
| EP-1963324-A1 | HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS ANTIBACTERIALS | GLAXO GROUP LIMITED (GB) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007071936-A1 | HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS ANTIBACTERIALS | GLAXO GROUP LIMITED (GB) | 2007-06-28 | — | — | WO | disclosed |