Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR5A1 | Q13285 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | RARB | P10826 | 3/20 | 0.38 |
| ▸ | ACACB | O00763 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.37 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | PLA2G4B | P0C869 | 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 | |
|---|---|---|---|---|
| SCHEMBL9510156 | 0.97 | ACACB (0.39) | NR5A1LTA4HKDM4EALDH1A1HPGD | |
| SCHEMBL9512534 | 0.95 | CNR2 (0.42) | NR5A1LTA4HKDM4EALDH1A1HPGD | |
| SCHEMBL9512426 | 0.93 | CNR2 (0.40) | NR5A1LTA4HKDM4EALDH1A1HPGD | |
| SCHEMBL9512289 | 0.92 | ACACB (0.39) | NR5A1LTA4HKDM4EALDH1A1HPGD | |
| SCHEMBL9512429 | 0.92 | ACACB (0.43) | ACACBMCHR1 | |
| SCHEMBL10509743 | 0.92 | CYSLTR2 (0.37) | RARBACACBCYSLTR2CYSLTR1CNR2 | |
| SCHEMBL9511360 | 0.91 | ACACB (0.41) | NR5A1ACACBCYSLTR2CYSLTR1CNR2 | |
| SCHEMBL9510163 | 0.91 | NR5A1 (0.42) | NR5A1LTA4HKDM4EALDH1A1HPGD | |
| SCHEMBL10519853 | 0.90 | ACACB (0.39) | ACACBCYSLTR2CYSLTR1 | |
| SCHEMBL9512387 | 0.90 | ACACB (0.41) | ACACBCYP3A4CYP2D6MCHR1 |
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 |