Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 6/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | LSS | P48449 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL9499505 | 1.00 | KCNH2 (0.43) | KCNH2GRM2MMP2MMP9MMP12 | |
| SCHEMBL9497479 | 1.00 | KCNH2 (0.43) | KCNH2GRM2MMP2MMP9MMP12 | |
| SCHEMBL9496024 | 1.00 | KCNH2 (0.43) | KCNH2GRM2MMP2MMP9MMP12 | |
| SCHEMBL9498047 | 1.00 | KCNH2 (0.43) | KCNH2GRM2MMP2MMP9MMP12 | |
| SCHEMBL9499837 | 1.00 | KCNH2 (0.43) | KCNH2GRM2MMP2MMP9MMP12 | |
| SCHEMBL9496030 | 1.00 | KCNH2 (0.43) | KCNH2GRM2MMP2MMP9MMP12 | |
| SCHEMBL10521086 | 1.00 | KCNH2 (0.43) | KCNH2GRM2MMP2MMP9MMP12 | |
| SCHEMBL9499495 | 1.00 | KCNH2 (0.43) | KCNH2GRM2MMP2MMP9MMP12 | |
| SCHEMBL9498057 | 1.00 | KCNH2 (0.43) | KCNH2GRM2MMP2MMP9MMP12 | |
| SCHEMBL10521080 | 1.00 | KCNH2 (0.43) | KCNH2GRM2MMP2MMP9MMP12 |
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 |