Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.44 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.43 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.37 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | KMO | O15229 | 2/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 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 | |
|---|---|---|---|---|
| SCHEMBL21374025 | 0.88 | PTGS2 (0.40) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL18069652 | 0.86 | AKR1C3 (0.50) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL16852357 | 0.82 | AKR1C3 (0.47) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL257746 | 0.80 | ERN1 (0.42) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL10301561 | 0.79 | TNKS2 (0.45) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL16852439 | 0.79 | AKR1C3 (0.47) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL10454998 | 0.79 | CA2 (0.40) | AKR1C3AKR1C2PTGS2KDM1A | |
| SCHEMBL18069651 | 0.79 | AKR1C3 (0.53) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL17570165 | 0.79 | AKR1C3 (0.45) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL16572154 | 0.78 | HPGD (0.36) | HDAC1HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| US-8980129-B2 | Liquid-crystal compound with negative dielectric anisotropy, liquid-crystal display, and optoelectronic device | INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) | 2015-03-17 | — | — | US | disclosed |