Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 10/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.32 |
| ▸ | TACR2 | P21452 | 3/20 | 0.32 |
| ▸ | SRC | P12931 | 2/20 | 0.32 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.32 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.32 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | WDR5 | P61964 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5235181 | 0.99 | TACR1 (0.39) | TACR1ALDH1A1CETPTACR2SRC | |
| SCHEMBL5229630 | 0.84 | TACR1 (0.48) | TACR1TACR2SRCPTGER4PTGER2 | |
| SCHEMBL5229625 | 0.84 | TACR1 (0.48) | TACR1TACR2SRCPTGER4PTGER2 | |
| SCHEMBL5235495 | 0.83 | TACR1 (0.43) | TACR1ALDH1A1SRCPTGER4PTGER2 | |
| SCHEMBL5229738 | 0.73 | CNR2 (0.38) | TACR1ALDH1A1TACR2SRCPTGER4 | |
| SCHEMBL5232616 | 0.72 | TACR1 (0.52) | TACR1TACR2SRCPTGER4PTGER2 | |
| SCHEMBL5232621 | 0.72 | TACR1 (0.52) | TACR1TACR2SRCPTGER4PTGER2 | |
| SCHEMBL7536713 | 0.71 | CCR4 (0.37) | ALDH1A1TACR2 | |
| SCHEMBL7536717 | 0.71 | CCR4 (0.37) | ALDH1A1TACR2 | |
| SCHEMBL5234199 | 0.71 | WDR5 (0.37) | TACR1ALDH1A1WDR5 |
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-1296961-B1 | 1,4-DIAZEPAN-2,5-DIONE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2007-02-14 | — | — | EP | claimed |
| EP-1296961-A1 | 1,4-DIAZEPAN-2,5-DIONE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-02 | — | — | EP | claimed |
| WO-2001090083-A1 | 1,4-DIAZEPAN-2,5-DIONE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-11-29 | — | — | WO | claimed |