Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.35 |
| ▸ | GABRE | P78334 | 1/20 | 0.35 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.35 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.35 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1869746 | 0.91 | POLB (0.40) | KDM4ECYP1A2CYP2C9CYP2D6RAB9A | |
| SCHEMBL1868987 | 0.90 | CYP1A2 (0.46) | GPBAR1MAPTKDM4ECYP1A2CYP2C9 | |
| SCHEMBL1872528 | 0.89 | LRRK2 (0.40) | GPBAR1MAPTKDM4EL3MBTL1GAA | |
| SCHEMBL1875858 | 0.85 | BAZ2B (0.35) | GPBAR1MAPTKDM4EL3MBTL1GAA | |
| SCHEMBL1873974 | 0.84 | PTGS1 (0.38) | GPBAR1CLK4POLB | |
| SCHEMBL1872947 | 0.84 | IDO1 (0.41) | MAPTL3MBTL1PDCD1CD274RAB9A | |
| SCHEMBL1872167 | 0.81 | FEN1 (0.33) | GPBAR1PDCD1CD274EGFRMAPK1 | |
| SCHEMBL22930015 | 0.80 | GABRP (0.41) | GPBAR1MAPTKDM4EL3MBTL1GAA | |
| SCHEMBL1867377 | 0.80 | HSD11B1 (0.40) | MAPTKDM4EGAAMEN1ALDH1A1 | |
| SCHEMBL1870333 | 0.77 | ALDH1A1 (0.32) | CYP2D6CYP3A4ALOX15CYP2C19HSD17B10 |
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-1643998-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2006-04-12 | — | — | EP | disclosed |
| WO-2005002577-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2005-01-13 | — | — | WO | disclosed |