Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 5/20 | 0.53 |
| ▸ | RARA | P10276 | 1/20 | 0.41 |
| ▸ | RARG | P13631 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | GPR3 | P46089 | 1/20 | 0.38 |
| ▸ | GCGR | P47871 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL17694335 | 0.92 | RARB (0.48) | RARBRARARARGKDM4ERAB9A | |
| SCHEMBL17694336 | 0.86 | KDM4E (0.48) | RARBRARAKDM4ERAB9AHTR2A | |
| SCHEMBL9398982 | 0.85 | RARB (0.68) | RARBRARARARGKDM4ERAB9A | |
| SCHEMBL16265324 | 0.85 | RARB (0.52) | RARBRARARARGKDM4ERAB9A | |
| SCHEMBL20176725 | 0.85 | RARB (0.45) | RARBRARARARGKDM4ERAB9A | |
| SCHEMBL18418561 | 0.84 | RARB (0.39) | RARBGCGRS1PR1S1PR3ALDH1A1 | |
| SCHEMBL17694315 | 0.84 | RARB (0.40) | RARBRARARARGKDM4ERAB9A | |
| SCHEMBL9398850 | 0.84 | RARB (0.66) | RARBRARARARGKDM4EGPR3 | |
| SCHEMBL10975125 | 0.84 | RARB (0.70) | RARBRARARARGKDM4ERAB9A | |
| SCHEMBL10978132 | 0.84 | RARB (0.70) | RARBRARARARGKDM4ERAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017198637-A1 | LIQUID-CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2017-11-23 | — | — | WO | disclosed |
| US-20170029702-A1 | LIQUID CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2017-02-02 | — | — | US | disclosed |