Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CCR3 | P51677 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.32 |
| ▸ | TACR2 | P21452 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL5234914 | 0.70 | CYP2C9 (0.41) | KMT2AMEN1ATMGAASIGMAR1 | |
| SCHEMBL5232211 | 0.69 | MEN1 (0.43) | KMT2AMEN1ATMNPBWR1CCR3 | |
| SCHEMBL7094297 | 0.66 | BCHE (0.42) | KMT2AMEN1TDP1TACR2MAPT | |
| SCHEMBL5232904 | 0.66 | TACR2 (0.39) | TDP1NPBWR1SIGMAR1CCR3CXCR3 | |
| SCHEMBL5232741 | 0.64 | XIAP (0.37) | KMT2AMEN1CCR3HCRTR1HCRTR2 | |
| SCHEMBL5232732 | 0.64 | XIAP (0.37) | KMT2AMEN1CCR3HCRTR1HCRTR2 | |
| SCHEMBL5232940 | 0.62 | TACR2 (0.43) | KMT2AMEN1TDP1SIGMAR1CXCR3 | |
| SCHEMBL5229554 | 0.62 | TACR2 (0.43) | KMT2AMEN1TDP1SIGMAR1CXCR3 | |
| SCHEMBL5235259 | 0.61 | NPBWR1 (0.38) | KMT2AMEN1ATMNPBWR1CCR3 | |
| SCHEMBL5237322 | 0.60 | CLPP (0.45) | GAAMAPT |
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-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 | disclosed |
| 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 | disclosed |