Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.31 |
| ▸ | MPL | P40238 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22872123 | 0.82 | PDE3B (0.37) | PDE3BPDE3ADAOTRPV3 | |
| SCHEMBL22872110 | 0.80 | ESR1 (0.37) | ESR2ESR1PDE3BPDE3ATRPV3 | |
| SCHEMBL22872135 | 0.79 | DAO (0.37) | ESR2ESR1PDE3BPDE3ADAO | |
| SCHEMBL23346051 | 0.79 | APP (0.42) | PDE3BPDE3ADAOALDH1A1HPGD | |
| SCHEMBL9970217 | 0.78 | ESR2 (0.39) | ESR2ESR1ALDH1A1HPGDHSD17B1 | |
| SCHEMBL23346050 | 0.78 | HPGD (0.40) | PDE3BPDE3ATRPV3ALDH1A1HPGD | |
| SCHEMBL21954066 | 0.76 | NPC1 (0.36) | ESR2ESR1ALDH1A1HPGD | |
| SCHEMBL22872118 | 0.76 | ESR2 (0.33) | ESR2ESR1 | |
| SCHEMBL22872138 | 0.74 | HSD11B1 (0.38) | PDE3BPDE3ATRPV3ALDH1A1MPL | |
| SCHEMBL22872108 | 0.72 | PDE3B (0.31) | PDE3BPDE3A |
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 |
|---|---|---|---|---|---|---|---|
| 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 |