Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL6436266 | 1.00 | TLR4 (0.36) | TLR4CYP1A2CYP2C9 | |
| SCHEMBL9315046 | 0.88 | CYP1A2 (0.48) | CYP1A2 | |
| SCHEMBL9313306 | 0.86 | CYP1A2 (0.42) | CYP1A2CYP2C9 | |
| SCHEMBL17614831 | 0.85 | TLR4 (0.35) | TLR4CYP1A2CYP2C9 | |
| SCHEMBL9315025 | 0.84 | — | — | |
| SCHEMBL9313867 | 0.84 | CYP1A2 (0.41) | CYP1A2CYP2C9 | |
| SCHEMBL9315037 | 0.84 | CYP1A2 (0.41) | CYP1A2CYP2C9 | |
| SCHEMBL9312870 | 0.84 | CYP1A2 (0.41) | CYP1A2CYP2C9 | |
| SCHEMBL17614844 | 0.83 | TLR4 (0.34) | TLR4CYP1A2 | |
| SCHEMBL15692231 | 0.83 | TLR4 (0.34) | TLR4CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0425622-B1 | MESOGENIC COMPOUNDS | MERCK PATENT GMBH (DE) | 1994-10-12 | — | — | EP | disclosed |
| US-5308537-A | Unsaturated liquid crystal compounds containing trifluoromethyl groups | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-05-03 | — | — | US | disclosed |
| US-5188759-A | HALOACETYLENE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-02-23 | — | — | US | disclosed |
| WO-1990013610-A1 | MESOGENIC COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-11-15 | — | — | WO | disclosed |