Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.35 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 2/20 | 0.34 |
| ▸ | KDM1A | O60341 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL10285184 | 0.85 | TAAR1 (0.39) | TAAR1 | |
| SCHEMBL20370270 | 0.83 | AKR1C3 (0.36) | AKR1C3AKR1C2PDE3BPDE3AESR1 | |
| SCHEMBL18354768 | 0.82 | PTGS2 (0.36) | TAAR1 | |
| SCHEMBL803426 | 0.81 | PDE3B (0.48) | AKR1C3AKR1C2PDE3BPDE3AESR1 | |
| SCHEMBL4567632 | 0.80 | PDE3B (0.47) | AKR1C3AKR1C2PDE3BPDE3AESR1 | |
| SCHEMBL12826296 | 0.80 | NFE2L2 (0.47) | AKR1C3AKR1C2PDE3BPDE3AESR1 | |
| SCHEMBL12889477 | 0.80 | NFE2L2 (0.47) | AKR1C3AKR1C2PDE3BPDE3AESR1 | |
| SCHEMBL13967517 | 0.79 | PTGS2 (0.46) | AKR1C3AKR1C2PDE3BPDE3AESR1 | |
| SCHEMBL9979986 | 0.79 | KDM1A (0.40) | PDE3BPDE3AKDM1AHDAC1BACE1 | |
| SCHEMBL14234530 | 0.79 | AKR1C3 (0.37) | AKR1C3AKR1C2PDE3BPDE3ACTSA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11788009-B2 | Liquid-crystalline medium for use in a switching element | MERCK PATENT GMBH (DE) | 2023-10-17 | — | — | US | disclosed |
| US-11760931-B2 | Liquid-crystalline medium for use in a switching element | MERCK PATENT GMBH (DE) | 2023-09-19 | — | — | US | disclosed |
| US-11702597-B2 | Azo dye | MERCK PATENT GMBH (DE) | 2023-07-18 | — | — | US | disclosed |
| US-20180142152-A1 | COMPOUNDS FOR THE HOMEOTROPIC ALIGNMENT OF LIQUID-CRYSTALLINE MEDIA | MERCK PATENT GMBH (DE) | 2018-05-24 | — | — | US | disclosed |
| US-20170002269-A1 | LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 2017-01-05 | — | — | US | disclosed |
| WO-2012052104-A1 | LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 2012-04-26 | — | — | WO | disclosed |