Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 7/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | REN | P00797 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL6590687 | 0.78 | CXCR4 (0.32) | — | |
| SCHEMBL4766714 | 0.75 | GHSR (0.37) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6608111 | 0.72 | SLC6A2 (0.40) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4761916 | 0.70 | PSEN1 (0.33) | — | |
| SCHEMBL6590845 | 0.70 | ALDH1A1 (0.38) | CYP3A4CYP2C19 | |
| SCHEMBL6590944 | 0.70 | PSEN1 (0.31) | — | |
| SCHEMBL4770129 | 0.69 | LMNA (0.37) | CYP1A2CYP3A4CYP2C19SLC6A2SLC6A3 | |
| SCHEMBL6591064 | 0.69 | — | — | |
| SCHEMBL6589898 | 0.69 | — | — | |
| SCHEMBL4762983 | 0.68 | PSEN1 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1320370-A4 | METHOD OF TREATMENT | SMITHKLINE BEECHAM CORP (US) | 2008-10-22 | — | — | EP | disclosed |
| EP-1320370-A1 | METHOD OF TREATMENT | SmithKline Beecham Corporation (US) | 2003-06-25 | — | — | EP | disclosed |
| WO-2002017924-A1 | METHOD OF TREATMENT | SMITHKLINE BEECHAM CORPORATION (GB) | 2002-03-07 | — | — | WO | disclosed |