Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | LSS | P48449 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9648982 | 1.00 | CYP1A2 (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19PKM | |
| SCHEMBL9649108 | 1.00 | CYP1A2 (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19PKM | |
| SCHEMBL9758396 | 0.98 | HTT (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19PKM | |
| SCHEMBL8011866 | 0.93 | CYP1A2 (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19PKM | |
| SCHEMBL9649974 | 0.93 | OPRM1 (0.35) | CYP1A2CYP2D6CYP2C9CYP2C19PKM | |
| SCHEMBL9649969 | 0.93 | OPRM1 (0.35) | CYP1A2CYP2D6CYP2C9CYP2C19PKM | |
| SCHEMBL19721994 | 0.83 | CYP1A2 (0.39) | CYP1A2CYP2D6CYP2C9CYP2C19PKM | |
| SCHEMBL21392013 | 0.83 | CYP1A2 (0.39) | CYP1A2CYP2D6CYP2C9CYP2C19PKM | |
| SCHEMBL9646779 | 0.81 | CYP1A2 (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19PKM | |
| SCHEMBL9646771 | 0.81 | CYP1A2 (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19PKM |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0107759-B1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS COMPONENTS FOR LIQUID CRYSTALS | MERCK PATENT GmbH (DE) | 1992-12-16 | — | — | EP | disclosed |
| US-5108652-A | Liquid crystal dielectrics | Merck patent Gesellschaft mit beschrankter Haftung Darmstadt (DE) | 1992-04-28 | — | — | US | disclosed |
| US-4986931-A | Cyclohexane derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-01-22 | — | — | US | disclosed |
| US-4510069-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1985-04-09 | — | — | US | disclosed |
| EP-0107759-A2 | Cyclohexane derivatives and their use as components for liquid crystals | MERCK PATENT GmbH (DE) | 1984-05-09 | — | — | EP | disclosed |