Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 17/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| SCHEMBL9509292 | 0.97 | RXRA (0.35) | CYP2A6ACACB | |
| SCHEMBL9511350 | 0.90 | ACACB (0.38) | CYP2A6ACACB | |
| SCHEMBL16692008 | 0.90 | TACR2 (0.37) | ACACB | |
| SCHEMBL9508745 | 0.89 | ACACB (0.38) | CYP2A6ACACB | |
| SCHEMBL7910413 | 0.88 | ACACB (0.40) | ACACBFFAR1 | |
| SCHEMBL9510152 | 0.88 | FFAR1 (0.40) | CYP2A6ACACBFFAR1 | |
| SCHEMBL9509358 | 0.88 | ACACB (0.37) | CYP2A6ACACB | |
| SCHEMBL9509283 | 0.88 | ALDH1A1 (0.37) | CYP2A6ACACB | |
| SCHEMBL9508858 | 0.86 | ACACB (0.37) | ACACB | |
| SCHEMBL9508805 | 0.86 | ALDH1A1 (0.39) | ACACB |
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-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | claimed |
| EP-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |