Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.45 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.43 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 4/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 4/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMO | O15229 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18553115 | 0.98 | AKR1C3 (0.46) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL13703910 | 0.90 | AKR1C3 (0.49) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL91804 | 0.87 | AKR1C3 (0.41) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL14365640 | 0.86 | AKR1C3 (0.54) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL10018722 | 0.86 | AKR1C3 (0.54) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL26529413 | 0.84 | ESR2 (0.47) | ESR1ESR2PTGS2PTGS1GAA | |
| SCHEMBL20286643 | 0.82 | ESR2 (0.43) | AKR1C3AKR1C2PDE3BPDE3AESR1 | |
| SCHEMBL17570165 | 0.81 | AKR1C3 (0.45) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL802682 | 0.81 | PTGS2 (0.46) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL803430 | 0.81 | AKR1C3 (0.53) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 |
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-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |
| US-7419706-B2 | Liquid crystalline medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2008-09-02 | — | — | US | disclosed |