Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.43 |
| ▸ | KDM1A | O60341 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8731518 | 0.81 | NQO1 (0.47) | MAOBMAOAALDH1A1MAPK1KMT2A | |
| SCHEMBL8732770 | 0.81 | DRD2 (0.45) | MAOBKDM1AMAOADRD2CA12 | |
| SCHEMBL8728119 | 0.80 | KDM1A (0.48) | KDM1AALDH1A1MEN1KMT2ASLC6A2 | |
| SCHEMBL8731456 | 0.78 | DRD2 (0.47) | MAOBKDM1AMAOADRD2ALDH1A1 | |
| SCHEMBL8731298 | 0.76 | DRD2 (0.44) | MAOBKDM1AMAOADRD2ALDH1A1 | |
| SCHEMBL803244 | 0.75 | ESR2 (0.59) | MAOBKDM1AMAOADRD2CA12 | |
| SCHEMBL1515026 | 0.73 | DRD2 (0.59) | MAOBKDM1AMAOADRD2CA12 | |
| SCHEMBL11714356 | 0.73 | KDM1A (0.59) | MAOBKDM1AMAOADRD2CA12 | |
| SCHEMBL12227833 | 0.73 | KDM1A (0.59) | MAOBKDM1AMAOADRD2CA12 | |
| SCHEMBL11715977 | 0.73 | MAOB (0.47) | MAOBKDM1AMAOADRD2ALDH1A1 |
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 |