Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | MMP12 | P39900 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | LSS | P48449 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9498796 | 1.00 | KCNH2 (0.39) | KCNH2FFAR1CYP1A2FFAR4MMP2 | |
| SCHEMBL9242922 | 0.96 | KCNH2 (0.36) | KCNH2FFAR1CYP1A2FFAR4MMP2 | |
| SCHEMBL9242913 | 0.96 | KCNH2 (0.36) | KCNH2FFAR1CYP1A2FFAR4MMP2 | |
| SCHEMBL9499027 | 0.96 | KCNH2 (0.41) | KCNH2FFAR1CYP1A2FFAR4MMP2 | |
| SCHEMBL9499025 | 0.96 | KCNH2 (0.41) | KCNH2FFAR1CYP1A2FFAR4MMP2 | |
| SCHEMBL9498057 | 0.94 | KCNH2 (0.43) | KCNH2FFAR1FFAR4MMP2MMP9 | |
| SCHEMBL9499837 | 0.94 | KCNH2 (0.43) | KCNH2FFAR1FFAR4MMP2MMP9 | |
| SCHEMBL9496030 | 0.94 | KCNH2 (0.43) | KCNH2FFAR1FFAR4MMP2MMP9 | |
| SCHEMBL9497487 | 0.94 | KCNH2 (0.43) | KCNH2FFAR1FFAR4MMP2MMP9 | |
| SCHEMBL10521086 | 0.94 | KCNH2 (0.43) | KCNH2FFAR1FFAR4MMP2MMP9 |
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-0306505-B1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES | MERCK PATENT GmbH (DE) | 1993-03-24 | — | — | EP | disclosed |
| US-5068053-A | Liquid crystals for optical apparatus | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |