Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.32 |
| ▸ | QPCT | Q16769 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.32 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.31 |
| ▸ | PDE9A | O76083 | 1/20 | 0.30 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.30 |
| ▸ | FEN1 | P39748 | 2/20 | 0.30 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.30 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 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 | |
|---|---|---|---|---|
| SCHEMBL22872107 | 0.87 | ESR1 (0.39) | ESR1ESR2PDE3BPDE3AQPCT | |
| SCHEMBL22872106 | 0.86 | HSD17B1 (0.37) | ESR1ESR2PDE3BPDE3AQPCT | |
| SCHEMBL22872114 | 0.84 | CYP11B1 (0.37) | PDE3BPDE3AQPCTTRPV3ENPP1 | |
| SCHEMBL2741570 | 0.82 | ESR1 (0.36) | ESR1ESR2PDE3BPDE3AALOX5AP | |
| SCHEMBL22872125 | 0.80 | ESR1 (0.40) | ESR1ESR2PDE3BPDE3AQPCT | |
| SCHEMBL22872110 | 0.80 | ESR1 (0.37) | ESR1ESR2PDE3BPDE3AQPCT | |
| SCHEMBL13002564 | 0.74 | PDE3B (0.38) | PDE3BPDE3AAKR1C3AKR1C2ALOX5AP | |
| SCHEMBL22872133 | 0.71 | RARB (0.39) | GRIN1GRIN2BTRPV3PDK2 | |
| SCHEMBL14234713 | 0.71 | PDE3B (0.39) | ESR1ESR2PDE3BPDE3AAKR1C3 | |
| SCHEMBL22872123 | 0.71 | PDE3B (0.37) | PDE3BPDE3AGRIN1GRIN2BAKR1C3 |
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-4279565-A2 | THIOPHENE COMPOUND, LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME | Merck Patent GmbH (DE) | 2023-11-22 | — | — | EP | disclosed |
| US-11168255-B2 | Thiophene compound, liquid-crystalline medium and liquid-crystal display comprising the same | MERCK PATENT GMBH (DE) | 2021-11-09 | — | — | US | disclosed |
| EP-3763802-A1 | THIOPHENE COMPOUND, LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME | Merck Patent GmbH (DE) | 2021-01-13 | — | — | EP | disclosed |