Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CCNC | P24863 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.34 |
| ▸ | MET | P08581 | 2/20 | 0.33 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | TRPC6 | Q9Y210 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| SCHEMBL5506555 | 0.87 | KCNH2 (0.38) | KCNH2CCNCCDK8IRAK4 | |
| SCHEMBL5506598 | 0.83 | KCNH2 (0.38) | KCNH2 | |
| SCHEMBL5503532 | 0.82 | IRAK4 (0.41) | KCNH2IRAK4METHTR1ALMNA | |
| SCHEMBL5507590 | 0.75 | IRAK4 (0.41) | KCNH2IRAK4 | |
| SCHEMBL5509173 | 0.75 | MTNR1B (0.41) | IRAK4HTR1AALDH1A1PTPN1 | |
| SCHEMBL5507964 | 0.72 | KCNH2 (0.55) | KCNH2 | |
| SCHEMBL3241026 | 0.70 | ACVR1 (0.40) | ACVR1HTR1ACRHR1 | |
| SCHEMBL5503330 | 0.70 | MTNR1B (0.43) | IRAK4 | |
| SCHEMBL4512730 | 0.68 | KCNH2 (0.37) | KCNH2 | |
| SCHEMBL4279169 | 0.67 | NOS3 (0.43) | ACVR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1799676-A2 | NEW BICYCLIC ANTIBIOTICS | Actelion Pharmaceuticals Ltd. (CH) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006032466-A2 | NEW BICYCLIC ANTIBIOTICS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-03-30 | — | — | WO | disclosed |