Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | HMGCR | P04035 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | XBP1 | P17861 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.30 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ALDH1B1 | P30837 | 1/20 | 0.30 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.30 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL19847518 | 0.85 | FFAR4 (0.39) | TAAR1MAPTLMNAXBP1HIF1A | |
| SCHEMBL29314259 | 0.83 | NOS1 (0.39) | NOS3NOS1NOS2HMGCRALDH1A1 | |
| SCHEMBL12700587 | 0.82 | HDAC1 (0.38) | NOS3NOS2ALDH1A1HTTTAAR1 | |
| SCHEMBL14032753 | 0.79 | HMGCR (0.40) | NOS3NOS1NOS2HMGCRALDH1A1 | |
| SCHEMBL23742694 | 0.78 | TAAR1 (0.50) | NOS3NOS1NOS2ALDH1A1HTT | |
| SCHEMBL21386534 | 0.77 | HDAC1 (0.33) | TAAR1HDAC1HDAC6 | |
| SCHEMBL14629779 | 0.76 | HDAC1 (0.32) | HDAC1HDAC6 | |
| SCHEMBL26938483 | 0.75 | TAAR1 (0.39) | NOS3NOS1NOS2ALDH1A1HTT | |
| SCHEMBL14528957 | 0.74 | TAAR1 (0.45) | HMGCRTAAR1TSHR | |
| SCHEMBL9921236 | 0.74 | TAAR1 (0.41) | HMGCRTAAR1TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3739020-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2023-08-23 | — | — | EP | disclosed |
| EP-3739020-A1 | LIQUID-CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2020-11-18 | — | — | EP | disclosed |
| EP-3543314-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2020-09-09 | — | — | EP | disclosed |
| EP-3543313-A1 | LIQUID-CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2019-09-25 | — | — | EP | disclosed |
| US-7435455-B2 | Dihydrocoumarin derivative, liquid crystal composition containing the same, and liquid crystal display device | CHISSO CORPORATION (JP) | 2008-10-14 | — | — | US | disclosed |