Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | IGF1R | P08069 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 2/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | CHKA | P35790 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL19186557 | 1.00 | CYP1A2 (0.50) | CYP1A2CYP2A6TAAR1KCNH2PTGS1 | |
| SCHEMBL19400463 | 0.94 | TAAR1 (0.45) | CYP1A2CYP2A6TAAR1KCNH2PTGS1 | |
| SCHEMBL19403028 | 0.86 | TAAR1 (0.41) | CYP1A2CYP2A6TAAR1KCNH2PTGS1 | |
| SCHEMBL19204657 | 0.84 | TAAR1 (0.43) | TAAR1DAONFE2L2HRH3ACHE | |
| SCHEMBL23552185 | 0.83 | GRM2 (0.41) | CYP1A2CYP2A6TAAR1PTGS1PTGS2 | |
| SCHEMBL24828784 | 0.83 | CYP2A6 (0.45) | CYP1A2CYP2A6TAAR1KCNH2 | |
| SCHEMBL25548773 | 0.83 | MCL1 (0.40) | CYP1A2CYP2A6TAAR1PTGS1PTGS2 | |
| SCHEMBL18553112 | 0.82 | DAO (0.49) | CYP1A2CYP2A6TAAR1PTGS1PTGS2 | |
| SCHEMBL20850067 | 0.82 | HTR2A (0.36) | CYP1A2CYP2A6TAAR1DAO | |
| SCHEMBL19887723 | 0.81 | CYP1A2 (0.41) | CYP1A2CYP2A6TAAR1DAONFE2L2 |
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-10851301-B2 | Liquid crystal medium | MERCK PATENT GMBH (DE) | 2020-12-01 | — | — | US | disclosed |
| US-9594283-B2 | Polymerizable compounds and the use thereof in liquid-crystal displays | MERCK PATENT GMBH (DE) | 2017-03-14 | — | — | US | disclosed |