Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 1/20 | 0.36 |
| ▸ | GCGR | P47871 | 2/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.31 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18418561 | 0.96 | RARB (0.39) | RARBGCGRMMP2MMP3S1PR1 | |
| SCHEMBL22299264 | 0.93 | RARB (0.36) | RARBGCGRMMP2MMP3S1PR1 | |
| SCHEMBL22239080 | 0.88 | CHKA (0.34) | RARBGCGRMMP2MMP3FDFT1 | |
| SCHEMBL20806203 | 0.88 | — | — | |
| SCHEMBL25804903 | 0.86 | RARB (0.37) | RARBGCGRMMP2MMP3S1PR1 | |
| SCHEMBL19636898 | 0.85 | MMP3 (0.34) | RARBMMP2MMP3S1PR1S1PR3 | |
| SCHEMBL18418560 | 0.85 | S1PR1 (0.38) | RARBS1PR1S1PR3 | |
| SCHEMBL25070429 | 0.85 | RARB (0.35) | RARBGCGRMMP2MMP3S1PR1 | |
| SCHEMBL18217161 | 0.84 | RARB (0.34) | RARBGCGRMMP2MMP3S1PR1 | |
| SCHEMBL25070373 | 0.84 | HTR1A (0.33) | RARB |
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-3458549-B1 | LIQUID-CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2020-07-22 | — | — | EP | disclosed |
| WO-2017198637-A1 | LIQUID-CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2017-11-23 | — | — | WO | disclosed |