Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA1 | P42261 | 1/20 | 0.38 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.38 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.32 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.32 |
| ▸ | HRH2 | P25021 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.31 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL2850220 | 1.00 | GRIA1 (0.38) | GRIA1GRIA2GRIA3HRH3KCNH2 | |
| SCHEMBL2847079 | 0.96 | HRH3 (0.41) | GRIA1GRIA2GRIA3HRH3KCNH2 | |
| SCHEMBL9511984 | 0.90 | GRIA1 (0.39) | GRIA1GRIA2GRIA3HRH3KCNH2 | |
| SCHEMBL9349666 | 0.90 | GRIA1 (0.39) | GRIA1GRIA2GRIA3HRH3KCNH2 | |
| SCHEMBL9349673 | 0.90 | GRIA1 (0.39) | GRIA1GRIA2GRIA3HRH3KCNH2 | |
| SCHEMBL10779619 | 0.90 | GRIA1 (0.39) | GRIA1GRIA2GRIA3HRH3KCNH2 | |
| SCHEMBL2857519 | 0.89 | HRH3 (0.38) | GRIA1GRIA2GRIA3HRH3KCNH2 | |
| SCHEMBL7751867 | 0.88 | GRIA1 (0.41) | GRIA1GRIA2GRIA3HRH3KCNH2 | |
| SCHEMBL2352622 | 0.88 | GRIA1 (0.41) | GRIA1GRIA2GRIA3HRH3KCNH2 | |
| SCHEMBL10338578 | 0.86 | KCNH2 (0.39) | GRIA1GRIA2GRIA3HRH3KCNH2 |
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-1896552-A1 | LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES | Tetragon-Chemie AG (LI) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006136345-A1 | LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES | TETRAGON-CHEMIE AG (LI) | 2006-12-28 | — | — | WO | disclosed |