Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 18/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL9512289 | 0.97 | ACACB (0.39) | ACACBCYP3A4CYP2D6MCHR1 | |
| SCHEMBL9511360 | 0.96 | ACACB (0.41) | ACACB | |
| SCHEMBL9512426 | 0.93 | CNR2 (0.40) | ACACBCYP3A4CYP2D6MCHR1 | |
| SCHEMBL9512534 | 0.92 | CNR2 (0.42) | — | |
| SCHEMBL9512429 | 0.92 | ACACB (0.43) | ACACBMCHR1 | |
| SCHEMBL9510156 | 0.92 | ACACB (0.39) | ACACBCYP3A4CYP2D6MCHR1 | |
| SCHEMBL10519853 | 0.92 | ACACB (0.39) | ACACB | |
| SCHEMBL9512376 | 0.91 | ACACB (0.39) | ACACB | |
| SCHEMBL9510227 | 0.90 | NR5A1 (0.41) | ACACBCYP3A4CYP2D6MCHR1 | |
| SCHEMBL10509743 | 0.89 | CYSLTR2 (0.37) | 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 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 |