Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | PON1 | P27169 | 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 | |
|---|---|---|---|---|
| SCHEMBL9419257 | 0.98 | COMT (0.45) | COMTMCL1BACE1PTGS2PTGS1 | |
| SCHEMBL20012962 | 0.88 | RPS6KA3 (0.43) | COMTMCL1BACE1PTGS2PTGS1 | |
| SCHEMBL17570168 | 0.87 | ACHE (0.46) | COMTPTGS2PTGS1RPS6KA3ACHE | |
| SCHEMBL172423 | 0.85 | ACHE (0.48) | COMTPTGS2PTGS1RPS6KA3NPC1 | |
| SCHEMBL172128 | 0.83 | ACHE (0.56) | PTGS2PTGS1RPS6KA3CA12CA9 | |
| SCHEMBL19824468 | 0.82 | ALOX5 (0.48) | MCL1BACE1ALOX15ALOX12ESR1 | |
| SCHEMBL8831992 | 0.81 | ESR1 (0.48) | ARCA12CA9ESR1ESR2 | |
| SCHEMBL30694739 | 0.81 | ESR1 (0.48) | ARCA12CA9ESR1ESR2 | |
| SCHEMBL20029720 | 0.79 | PTGS2 (0.51) | PTGS2PTGS1RPS6KA3ACHETDP1 | |
| SCHEMBL20029560 | 0.79 | PTGS2 (0.51) | PTGS2PTGS1RPS6KA3ACHETDP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9234136-B2 | Liquid-crystalline medium | MERCK PATENT GMBH (DE) | 2016-01-12 | — | — | US | disclosed |
| US-20140138581-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2014-05-22 | — | — | US | disclosed |
| US-7582337-B2 | Liquid-crystalline medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2009-09-01 | — | — | US | disclosed |
| US-7560147-B2 | Liquid-crystal medium | MERCK PATENT GMBH (DE) | 2009-07-14 | — | — | US | disclosed |
| US-7425355-B2 | Liquid-crystalline medium | MERCK PATENT GMBH (DE) | 2008-09-16 | — | — | US | disclosed |
| US-20080197319-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GESELLSCHAFT (DE) | 2008-08-21 | — | — | US | disclosed |
| US-20080193681-A1 | Liquid-Crystal Medium | MERCK PATENT GMBH (DE) | 2008-08-14 | — | — | US | disclosed |