Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 3/20 | 0.49 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | ACACB | O00763 | 4/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | LPL | P06858 | 1/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28839052 | 0.88 | CYP2A6 (0.52) | FFAR1FFAR4CYP2A6ACACBTAAR1 | |
| SCHEMBL9328206 | 0.88 | CYP2A6 (0.52) | FFAR1FFAR4CYP2A6ACACBTAAR1 | |
| SCHEMBL9335379 | 0.86 | FFAR1 (0.50) | FFAR1FFAR4ACACBLPLLIPG | |
| SCHEMBL9509260 | 0.86 | CYP2A6 (0.50) | FFAR1FFAR4CYP2A6ACACBTAAR1 | |
| SCHEMBL9511291 | 0.86 | CYP2A6 (0.50) | FFAR1FFAR4CYP2A6ACACBTAAR1 | |
| SCHEMBL8449915 | 0.85 | FFAR1 (0.57) | FFAR1FFAR4ACACBLPLLIPG | |
| SCHEMBL9335892 | 0.84 | CYP2A6 (0.48) | FFAR1FFAR4CYP2A6ACACBTNK2 | |
| SCHEMBL9333577 | 0.83 | FFAR1 (0.59) | FFAR1FFAR4ACACBLPLLIPG | |
| SCHEMBL9465555 | 0.82 | TSHR (0.47) | FFAR1FFAR4CYP2A6ACACBTAAR1 | |
| SCHEMBL9333457 | 0.81 | FFAR1 (0.66) | FFAR1FFAR4ACACBTNK2HRH3 |
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-0672742-B1 | A hexenediyne derivative and a liquid crystal composition | CHISSO CORP (JP) | 1999-02-10 | — | — | EP | disclosed |
| EP-0672742-A1 | A hexenediyne derivative and a liquid crystal composition | CHISSO CORPORATION (JP) | 1995-09-20 | — | — | EP | disclosed |