Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 2/20 | 0.47 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | BCR | P11274 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13224767 | 0.88 | RELA (0.45) | RELATUBB1KDM4ECYP3A4LMNA | |
| SCHEMBL13778032 | 0.87 | KDM4E (0.53) | RELATUBB1KDM4ECYP3A4LMNA | |
| SCHEMBL8647769 | 0.85 | KDM4E (0.59) | RELATUBB1KDM4ECYP3A4LMNA | |
| SCHEMBL256708 | 0.85 | KDM4E (0.59) | RELATUBB1KDM4ECYP3A4LMNA | |
| SCHEMBL12047534 | 0.85 | KDM4E (0.59) | RELATUBB1KDM4ECYP3A4LMNA | |
| SCHEMBL13224764 | 0.82 | KDM4E (0.69) | RELATUBB1KDM4ECYP3A4LMNA | |
| SCHEMBL13224763 | 0.77 | RELA (0.44) | RELATUBB1KDM4ECYP3A4LMNA | |
| SCHEMBL9954760 | 0.76 | NFE2L2 (0.55) | RELATUBB1KDM4ECYP3A4LMNA | |
| SCHEMBL9954764 | 0.76 | NFE2L2 (0.55) | RELATUBB1KDM4ECYP3A4LMNA | |
| SCHEMBL9954765 | 0.76 | NFE2L2 (0.55) | RELATUBB1KDM4ECYP3A4LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8361568-B2 | Liquid-crystalline medium | MERCK PATENT GMBH (DE) | 2013-01-29 | — | — | US | disclosed |
| US-7767280-B2 | Liquid-crystalline medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2010-08-03 | — | — | US | disclosed |
| US-20100102275-A1 | LIQUID-CRYSTALLINE MEDIUM | KLASEN-MEMMER MELANIE | 2010-04-29 | — | — | US | disclosed |