Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9498537 | 1.00 | MEN1 (0.36) | MEN1KMT2AFFAR1BACE1KIF11 | |
| SCHEMBL9496384 | 0.95 | FFAR1 (0.39) | MEN1KMT2AFFAR1BACE1KIF11 | |
| SCHEMBL9496373 | 0.95 | FFAR1 (0.39) | MEN1KMT2AFFAR1BACE1KIF11 | |
| SCHEMBL21250209 | 0.87 | FFAR1 (0.44) | FFAR1BACE1KIF11P2RY6FFAR4 | |
| SCHEMBL9495834 | 0.84 | FFAR1 (0.37) | FFAR1BACE1KIF11P2RY6FFAR4 | |
| SCHEMBL9495822 | 0.84 | FFAR1 (0.37) | FFAR1BACE1KIF11P2RY6FFAR4 | |
| SCHEMBL9496013 | 0.83 | FFAR1 (0.37) | FFAR1BACE1P2RY6FFAR4 | |
| SCHEMBL9496001 | 0.83 | FFAR1 (0.37) | FFAR1BACE1P2RY6FFAR4 | |
| SCHEMBL9497214 | 0.83 | FFAR1 (0.36) | FFAR1BACE1KIF11P2RY6FFAR4 | |
| SCHEMBL9497232 | 0.83 | FFAR1 (0.36) | FFAR1BACE1KIF11P2RY6FFAR4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0306505-B1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES | MERCK PATENT GmbH (DE) | 1993-03-24 | — | — | EP | 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 |