Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBK1 | Q9UHD2 | 9/20 | 0.47 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13588406 | 0.91 | ACKR3 (0.51) | TBK1ACKR3ROCK2KDM4EALDH1A1 | |
| SCHEMBL13003707 | 0.88 | CYP3A4 (0.51) | — | |
| SCHEMBL14469500 | 0.85 | TBK1 (0.50) | TBK1ACKR3 | |
| SCHEMBL14469631 | 0.83 | HRH1 (0.49) | TBK1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL13588425 | 0.81 | TBK1 (0.51) | TBK1 | |
| SCHEMBL8418718 | 0.80 | ACKR3 (0.55) | TBK1ACKR3 | |
| SCHEMBL13003343 | 0.78 | CYP3A4 (0.53) | TBK1 | |
| SCHEMBL13588426 | 0.78 | TBK1 (0.48) | TBK1 | |
| SCHEMBL13588416 | 0.76 | TBK1 (0.49) | TBK1KDM4E | |
| SCHEMBL13003648 | 0.76 | CYP3A4 (0.53) | TBK1 |
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-2007075555-A2 | COMBINATION OF AN H3 ANTAGONIST/INVERSE AGONIST AND AN APPETITE SUPPRESSANT | SCHERING CORPORATION (US) | 2007-07-05 | — | — | WO | disclosed |