Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 2/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 7/20 | 0.35 |
| ▸ | RARA | P10276 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 1/20 | 0.34 |
| ▸ | RARG | P13631 | 1/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | GCGR | P47871 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CHKA | P35790 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9508754 | 0.95 | LMNA (0.40) | CYP2A6ACACBFFAR1RARARARB | |
| SCHEMBL9509130 | 0.94 | FFAR1 (0.37) | CYP2A6ACACBFFAR1RARARARB | |
| SCHEMBL9508752 | 0.94 | FFAR1 (0.37) | CYP2A6ACACBFFAR1RARARARB | |
| SCHEMBL9512399 | 0.93 | FFAR1 (0.36) | CYP2A6ACACBFFAR1RARBFFAR4 | |
| SCHEMBL9509318 | 0.93 | FFAR1 (0.36) | CYP2A6ACACBFFAR1RARBFFAR4 | |
| SCHEMBL9510180 | 0.90 | TSHR (0.40) | FFAR1RARB | |
| SCHEMBL9511464 | 0.90 | TSHR (0.40) | FFAR1RARB | |
| SCHEMBL9512306 | 0.89 | HSD17B10 (0.46) | RARARARBRARGMAPK14LMNA | |
| SCHEMBL9508830 | 0.89 | HSD17B10 (0.46) | RARARARBRARGMAPK14LMNA | |
| SCHEMBL9508906 | 0.88 | FFAR1 (0.39) | ACACBFFAR1RARBFFAR4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |