Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 13/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 13/20 | 0.37 |
| ▸ | STS | P08842 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | SNCA | P37840 | 1/20 | 0.32 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22872130 | 0.79 | ESR2 (0.35) | DAOHSD17B1HSD17B2ALDH1A1HPGD | |
| SCHEMBL22872113 | 0.76 | HSD17B1 (0.37) | HSD17B1HSD17B2STSARSNCA | |
| SCHEMBL22872123 | 0.76 | PDE3B (0.37) | DAOCYP3A4CYP2C19PDE3BPDE3A | |
| SCHEMBL23346051 | 0.76 | APP (0.42) | DAOHSD17B1HSD17B2STSALDH1A1 | |
| SCHEMBL23346050 | 0.74 | HPGD (0.40) | HSD17B1HSD17B2STSALDH1A1HPGD | |
| SCHEMBL22872110 | 0.73 | ESR1 (0.37) | HSD17B1HSD17B2PDE3BPDE3ATRPV3 | |
| SCHEMBL19439599 | 0.72 | DAO (0.48) | DAOHSD17B1HSD17B2ALDH1A1HPGD | |
| SCHEMBL21954066 | 0.72 | NPC1 (0.36) | ALDH1A1HPGDCYP2C19ESR1ESR2 | |
| SCHEMBL22872138 | 0.71 | HSD11B1 (0.38) | ALDH1A1PDE3BPDE3ATRPV3 | |
| SCHEMBL16801819 | 0.70 | DAO (0.46) | DAOHSD17B1HSD17B2ALDH1A1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3763802-A1 | THIOPHENE COMPOUND, LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME | Merck Patent GmbH (DE) | 2021-01-13 | — | — | EP | disclosed |