Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | LTA4H | P09960 | 3/20 | 0.37 |
| ▸ | CYSLTR2 | Q9NS75 | 3/20 | 0.37 |
| ▸ | CYSLTR1 | Q9Y271 | 3/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9512387 | 0.97 | ACACB (0.41) | ACACBCYP2D6CYP3A4MCHR1 | |
| SCHEMBL9512426 | 0.96 | CNR2 (0.40) | ACACBCYP2D6CYP3A4MCHR1CYP1A2 | |
| SCHEMBL9512534 | 0.95 | CNR2 (0.42) | LTA4HCYSLTR2CYSLTR1NR5A1KDM4E | |
| SCHEMBL9510156 | 0.94 | ACACB (0.39) | ACACBCYP2D6CYP3A4MCHR1CYP1A2 | |
| SCHEMBL9511360 | 0.93 | ACACB (0.41) | ACACBCYSLTR2CYSLTR1NR5A1CNR2 | |
| SCHEMBL9512376 | 0.93 | ACACB (0.39) | ACACBL3MBTL1 | |
| SCHEMBL9510227 | 0.92 | NR5A1 (0.41) | ACACBCYP2D6CYP3A4MCHR1LTA4H | |
| SCHEMBL10509743 | 0.92 | CYSLTR2 (0.37) | ACACBCYSLTR2CYSLTR1CNR2 | |
| SCHEMBL9511459 | 0.90 | APP (0.41) | ACACBMCHR1CYP19A1ALDH1A1HPGD | |
| SCHEMBL9512263 | 0.90 | ACACB (0.42) | ACACBCYP2D6CYP3A4MCHR1CYP1A2 |
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 |