Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LSS | P48449 | 6/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL9495591 | 1.00 | LSS (0.37) | LSSFFAR1DPP4CYP1A2CYP3A4 | |
| SCHEMBL9498500 | 0.96 | LSS (0.35) | LSSFFAR1DPP4CYP1A2CYP3A4 | |
| SCHEMBL9498487 | 0.96 | LSS (0.35) | LSSFFAR1DPP4CYP1A2CYP3A4 | |
| SCHEMBL9496416 | 0.96 | LSS (0.39) | LSSFFAR1DPP4P2RY6BACE1 | |
| SCHEMBL9496412 | 0.96 | LSS (0.39) | LSSFFAR1DPP4P2RY6BACE1 | |
| SCHEMBL9495192 | 0.95 | LSS (0.41) | LSSFFAR1DPP4P2RY6BACE1 | |
| SCHEMBL9500584 | 0.95 | LSS (0.41) | LSSFFAR1DPP4P2RY6BACE1 | |
| SCHEMBL9495201 | 0.95 | LSS (0.41) | LSSFFAR1DPP4P2RY6BACE1 | |
| SCHEMBL9500577 | 0.95 | LSS (0.41) | LSSFFAR1DPP4P2RY6BACE1 | |
| SCHEMBL9496516 | 0.92 | LSS (0.37) | LSSFFAR1DPP4P2RY6BACE1 |
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 |