Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPE | Q05469 | 3/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GCGR | P47871 | 1/20 | 0.36 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9712988 | 1.00 | LIPE (0.39) | LIPEACACBKDM1ARCOR1FFAR1 | |
| SCHEMBL9245565 | 0.96 | GRM2 (0.37) | LIPEACACBKDM1ARCOR1FFAR1 | |
| SCHEMBL9245559 | 0.96 | GRM2 (0.37) | LIPEACACBKDM1ARCOR1FFAR1 | |
| SCHEMBL8753542 | 0.96 | LIPE (0.37) | LIPEACACBKDM1ARCOR1FFAR1 | |
| SCHEMBL9713643 | 0.96 | LIPE (0.37) | LIPEACACBKDM1ARCOR1FFAR1 | |
| SCHEMBL8753517 | 0.96 | LIPE (0.37) | LIPEACACBKDM1ARCOR1FFAR1 | |
| SCHEMBL9713155 | 0.92 | HDAC3 (0.36) | LIPEACACBKDM1ARCOR1FFAR1 | |
| SCHEMBL9713160 | 0.92 | HDAC3 (0.36) | LIPEACACBKDM1ARCOR1FFAR1 | |
| SCHEMBL9713140 | 0.91 | HDAC3 (0.36) | LIPEACACBKDM1ARCOR1FFAR1 | |
| SCHEMBL9713131 | 0.91 | HDAC3 (0.36) | LIPEACACBKDM1ARCOR1FFAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5164114-A | LIQUID CRYSTAL | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1992-11-17 | — | — | US | disclosed |
| EP-0306521-B1 | ETHINE DERIVATIVES AS COMPOUNDS OF LIQUID CRYSTAL PHASES | MERCK PATENT GmbH (DE) | 1991-10-16 | — | — | EP | disclosed |