Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | S100A4 | P26447 | 1/20 | 0.37 |
| ▸ | NMUR2 | Q9GZQ4 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.36 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30075934 | 1.00 | PDE3B (0.39) | PDE3BPDE3ADGAT1ALOX5APFEN1 | |
| SCHEMBL14520998 | 0.86 | DGAT1 (0.46) | DGAT1ALOX5APFEN1S100A4NMUR2 | |
| SCHEMBL31310573 | 0.86 | DGAT1 (0.46) | DGAT1ALOX5APFEN1S100A4NMUR2 | |
| SCHEMBL30075973 | 0.79 | CYP11B1 (0.37) | DGAT1ALOX5APFEN1S100A4NMUR2 | |
| SCHEMBL23723926 | 0.79 | CYP11B1 (0.37) | DGAT1ALOX5APFEN1S100A4NMUR2 | |
| SCHEMBL5716618 | 0.78 | CTSL (0.44) | PDE3BPDE3ACTSLCTSSCTSK | |
| SCHEMBL712453 | 0.77 | ALOX5AP (0.36) | PDE3BPDE3ADGAT1ALOX5APFEN1 | |
| SCHEMBL11728016 | 0.76 | PTPRC (0.47) | DGAT1ALOX5APFEN1S100A4NMUR2 | |
| SCHEMBL27164738 | 0.76 | BCL2 (0.45) | DGAT1ALOX5APFEN1S100A4NMUR2 | |
| SCHEMBL7604808 | 0.76 | ALDH1A1 (0.37) | PDE3BPDE3AALOX5APFEN1CYP2A6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4100489-B1 | LIQUID-CRYSTALLINE COMPOUNDS | MERCK PATENT GMBH (DE) | 2024-01-10 | — | — | EP | disclosed |
| EP-4100489-A1 | LIQUID-CRYSTALLINE COMPOUNDS | Merck Patent GmbH (DE) | 2022-12-14 | — | — | EP | disclosed |
| WO-2021156232-A1 | LIQUID-CRYSTALLINE COMPOUNDS | MERCK PATENT GMBH (DE) | 2021-08-12 | — | — | WO | disclosed |
| WO-2021156232-A1 | LIQUID-CRYSTALLINE COMPOUNDS | MERCK PATENT GMBH (DE) | 2021-08-12 | — | — | WO | disclosed |