Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.48 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | LIPE | Q05469 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18357448 | 0.81 | KDM1A (0.44) | KDM1ARCOR1L3MBTL1SLC6A4SLC6A3 | |
| SCHEMBL14894165 | 0.80 | KDM1A (0.50) | KDM1ARCOR1L3MBTL1SLC6A4SLC6A3 | |
| SCHEMBL9176241 | 0.80 | L3MBTL1 (0.46) | KDM1ARCOR1L3MBTL1EPHX2SLC6A4 | |
| SCHEMBL14893852 | 0.80 | KDM1A (0.49) | KDM1ARCOR1L3MBTL1EPHX2SLC6A4 | |
| SCHEMBL8725624 | 0.80 | MAOB (0.43) | KDM1ASLC6A4SLC6A3SLC6A2ALDH1A1 | |
| SCHEMBL14229002 | 0.78 | ESR2 (0.52) | KDM1ARCOR1L3MBTL1EPHX2SLC6A4 | |
| SCHEMBL9176843 | 0.76 | KDM1A (0.44) | KDM1ARCOR1L3MBTL1SLC6A4SLC6A3 | |
| SCHEMBL9176835 | 0.76 | KDM1A (0.44) | KDM1ARCOR1L3MBTL1SLC6A4SLC6A3 | |
| SCHEMBL8731518 | 0.75 | NQO1 (0.47) | ALDH1A1TSHRKMT2A | |
| SCHEMBL4564168 | 0.75 | L3MBTL1 (0.47) | KDM1ARCOR1L3MBTL1EPHX2SLC6A4 |
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-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 |