Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | OGA | O60502 | 4/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 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 | |
|---|---|---|---|---|
| SCHEMBL9855120 | 1.00 | CHRNB2 (0.40) | CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9855339 | 0.89 | CHRNB2 (0.38) | CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9855343 | 0.89 | CHRNB2 (0.38) | CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9856126 | 0.86 | CHRNB2 (0.37) | CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9856120 | 0.86 | CHRNB2 (0.37) | CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9855183 | 0.85 | CHRNB2 (0.36) | CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9855178 | 0.85 | CHRNB2 (0.36) | CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9158894 | 0.84 | GRM5 (0.40) | CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9158888 | 0.84 | GRM5 (0.40) | CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9855465 | 0.84 | CHRNB2 (0.36) | CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5068053-A | Liquid crystals for optical apparatus | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |
| EP-0306505-A1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES. | MERCK PATENT GMBH (DE) | 1989-03-15 | — | — | EP | disclosed |
| WO-1988007523-A1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1988-10-06 | — | — | WO | disclosed |