Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CTRC | Q99895 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | RARB | P10826 | 3/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.48 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.48 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.47 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | ACACB | O00763 | 1/20 | 0.46 |
| ▸ | MMP12 | P39900 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.45 |
| ▸ | RXRA | P19793 | 1/20 | 0.45 |
| ▸ | RXRB | P28702 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9799716 | 0.97 | ALDH1A1 (0.57) | ALDH1A1CTRCTSHRMAOBNR4A1 | |
| SCHEMBL9346509 | 0.97 | ALDH1A1 (0.57) | ALDH1A1CTRCTSHRMAOBNR4A1 | |
| SCHEMBL9504781 | 0.91 | RARB (0.55) | ALDH1A1TSHRRARBLMNARXRA | |
| SCHEMBL8609008 | 0.89 | RARB (0.55) | TSHRRARBLMNARXRARXRB | |
| SCHEMBL16602456 | 0.87 | TSHR (0.58) | ALDH1A1TSHRRARBLMNARXRA | |
| SCHEMBL9779542 | 0.87 | ALDH1A1 (0.52) | ALDH1A1CTRCMAOBNR4A1NR4A2 | |
| SCHEMBL9799530 | 0.87 | ALDH1A1 (0.52) | ALDH1A1CTRCMAOBNR4A1NR4A2 | |
| SCHEMBL9799527 | 0.87 | ALDH1A1 (0.52) | ALDH1A1CTRCMAOBNR4A1NR4A2 | |
| SCHEMBL9437156 | 0.86 | MAOB (0.56) | ALDH1A1MAOBNR4A1NR4A2NR4A3 | |
| SCHEMBL9502531 | 0.86 | RARB (0.63) | ALDH1A1TSHRRARBLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0216530-B1 | LIQUID CRYSTAL CARBONATOBENZOIC ACID DERIVATIVE AND COMPOSITION | Chisso Corporation (JP) | 1991-10-23 | — | — | EP | disclosed |
| US-4816181-A | FOR DISPLAYS | CHISSO CORPORATION (JP) | 1989-03-28 | — | — | US | disclosed |
| EP-0216530-A1 | Liquid crystal carbonatobenzoic acid derivative and composition | Chisso Corporation (JP) | 1987-04-01 | — | — | EP | disclosed |