Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 3/20 | 0.34 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.34 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.32 |
| ▸ | ATR | Q13535 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5137733 | 0.84 | CFTR (0.33) | CFTR | |
| SCHEMBL3467391 | 0.80 | ATR (0.41) | CYP17A1BRAFKCNQ4KCNQ5SYK | |
| SCHEMBL3466006 | 0.79 | CYP17A1 (0.35) | CYP17A1BRAFCFTRKCNQ4KCNQ5 | |
| SCHEMBL14783859 | 0.72 | CFTR (0.44) | CYP17A1CFTRRXFP1METAP1AAK1 | |
| SCHEMBL14784342 | 0.72 | CFTR (0.49) | CFTRRXFP1METAP1AAK1CACNA1H | |
| SCHEMBL14725520 | 0.70 | CYP17A1 (0.48) | CYP17A1BRAFKCNQ4KCNQ5SYK | |
| SCHEMBL3401775 | 0.70 | CYP17A1 (0.41) | CYP17A1BRAFKCNQ4KCNQ5RXFP1 | |
| SCHEMBL31662566 | 0.69 | AAK1 (0.48) | CYP17A1AAK1MTNR1AMTNR1B | |
| SCHEMBL14923559 | 0.69 | SYK (0.46) | CYP17A1SYKATR | |
| SCHEMBL5785487 | 0.69 | AAK1 (0.48) | CYP17A1AAK1MTNR1AMTNR1B |
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 |
|---|---|---|---|---|---|---|---|
| EP-2005995-A1 | Heterocyclic compounds for the treatment of tuberculosis | GLAXO GROUP LIMITED (GB) | 2008-12-24 | — | — | EP | disclosed |