Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | THRA | P10827 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL2383773 | 1.00 | CYP1A2 (0.34) | CYP1A2CYP2C9TSHRALDH1A1LMNA | |
| SCHEMBL2270739 | 0.94 | TLR4 (0.35) | CYP1A2CYP2C9 | |
| SCHEMBL28361607 | 0.94 | TLR4 (0.35) | CYP1A2CYP2C9 | |
| SCHEMBL7902037 | 0.94 | CYP1A2 (0.40) | CYP1A2CYP2C9TSHRALDH1A1LMNA | |
| SCHEMBL7774459 | 0.94 | TLR4 (0.35) | CYP1A2CYP2C9 | |
| SCHEMBL7902041 | 0.94 | CYP1A2 (0.40) | CYP1A2CYP2C9TSHRALDH1A1LMNA | |
| SCHEMBL7774457 | 0.94 | TLR4 (0.35) | CYP1A2CYP2C9 | |
| SCHEMBL7774454 | 0.94 | TLR4 (0.35) | CYP1A2CYP2C9 | |
| SCHEMBL2270744 | 0.94 | TLR4 (0.35) | CYP1A2CYP2C9 | |
| SCHEMBL2270741 | 0.94 | TLR4 (0.35) | CYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0623102-B1 | CYCLOBUTANE-BENZOLE DERIVATIVES | MERCK PATENT GMBH (DE) | 1998-06-24 | — | — | EP | disclosed |
| US-5445764-A | Based on derivatives of m-difluorobenzene; low viscosity; stability; broad mesophase range; good optical and dielectric anisotropy; specific resistance; matrix and supertwist displays | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-08-29 | — | — | US | disclosed |
| EP-0623102-A1 | CYCLOBUTANE-BENZOLE DERIVATIVES | MERCK PATENT GmbH (DE) | 1994-11-09 | — | — | EP | disclosed |
| WO-1994012455-A1 | CYCLOBUTANE-BENZOLE DERIVATIVES | MERCK PATENT GMBH (DE) | 1994-06-09 | — | — | WO | disclosed |
| EP-0282542-B1 | PROCESS FOR THE PRODUCTION OF ALKYLENE OR CYCLICALLY LINKED COMPOUNDS | MERCK PATENT GMBH (DE) | 1994-05-18 | — | — | EP | disclosed |
| EP-0282542-A1 | PROCESS FOR THE PRODUCTION OF ALKYLENE OR CYCLICALLY LINKED COMPOUNDS. | MERCK PATENT GMBH (DE) | 1988-09-21 | — | — | EP | disclosed |
| WO-1988002357-A2 | PROCESS FOR THE PRODUCTION OF ALKYLENE OR CYCLICALLY LINKED COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1988-04-07 | — | — | WO | disclosed |