Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | ACACB | O00763 | 6/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | LPL | P06858 | 1/20 | 0.42 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9511291 | 1.00 | CYP2A6 (0.50) | CYP2A6ACACBTAAR1LPLLIPG | |
| SCHEMBL9328206 | 0.98 | CYP2A6 (0.52) | CYP2A6ACACBTAAR1LPLLIPG | |
| SCHEMBL9509240 | 0.93 | CYP2A6 (0.56) | CYP2A6ACACBTAAR1LPLLIPG | |
| SCHEMBL9511319 | 0.93 | ACACB (0.53) | ACACBLPLLIPGFFAR1FFAR4 | |
| SCHEMBL9465555 | 0.92 | TSHR (0.47) | CYP2A6ACACBTAAR1LPLLIPG | |
| SCHEMBL8141107 | 0.91 | ACACB (0.54) | ACACBLPLLIPGFFAR1FFAR4 | |
| SCHEMBL9328434 | 0.91 | ACACB (0.54) | ACACBLPLLIPGFFAR1FFAR4 | |
| SCHEMBL9512353 | 0.88 | HSD17B10 (0.47) | CYP2A6ACACBTAAR1FFAR1FFAR4 | |
| SCHEMBL9512216 | 0.88 | HSD17B10 (0.47) | CYP2A6ACACBTAAR1FFAR1FFAR4 | |
| SCHEMBL5050178 | 0.86 | CYP2A6 (0.64) | CYP2A6ACACBTAAR1LPLLIPG |
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 |