Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 2/20 | 0.34 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19798299 | 0.87 | TAAR1 (0.47) | GRM2HDAC1TAAR1CYP1A2CYP2A6 | |
| SCHEMBL20850067 | 0.85 | HTR2A (0.36) | GRM2TAAR1CYP1A2CYP2A6DAO | |
| SCHEMBL19186557 | 0.83 | CYP1A2 (0.50) | TAAR1CYP1A2CYP2A6DAOPTGS1 | |
| SCHEMBL18625313 | 0.83 | CYP1A2 (0.50) | TAAR1CYP1A2CYP2A6DAOPTGS1 | |
| SCHEMBL24828784 | 0.83 | CYP2A6 (0.45) | GRM2TAAR1CYP1A2CYP2A6 | |
| SCHEMBL18553112 | 0.82 | DAO (0.49) | HDAC1TAAR1CYP1A2CYP2A6DAO | |
| SCHEMBL19335922 | 0.79 | IGF1R (0.50) | GRM2TAAR1CYP1A2CYP2A6BACE1 | |
| SCHEMBL19400463 | 0.79 | TAAR1 (0.45) | TAAR1CYP1A2CYP2A6BACE1DAO | |
| SCHEMBL19204657 | 0.77 | TAAR1 (0.43) | TAAR1DAO | |
| SCHEMBL13520606 | 0.77 | GRM2 (0.44) | GRM2CYP1A2CYP2A6 |
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-11795398-B2 | Liquid-crystalline medium and liquid-crystal display comprising the same and compounds | MERCK PATENT GMBH (DE) | 2023-10-24 | — | — | US | disclosed |
| US-11359142-B2 | Liquid-crystalline medium and liquid-crystal display comprising the same | MERCK PATENT GMBH (DE) | 2022-06-14 | — | — | US | disclosed |
| US-20210189241-A1 | LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME | MERCK PATENT GMBH (DE) | 2021-06-24 | — | — | US | disclosed |