Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8731472 | 0.85 | NQO1 (0.45) | NQO1MAOAMAOBTSHRTDP1 | |
| SCHEMBL8728050 | 0.83 | NQO1 (0.42) | NQO1MAOAMAOBTSHRTDP1 | |
| SCHEMBL8725624 | 0.81 | MAOB (0.43) | MAOAMAOBALDH1A1MAPK1KMT2A | |
| SCHEMBL8728527 | 0.80 | LMNA (0.41) | NQO1MAOAMAOBTSHRTDP1 | |
| SCHEMBL12990842 | 0.77 | ESR2 (0.53) | NQO1MAOAMAOBTSHRTDP1 | |
| SCHEMBL9586183 | 0.76 | NQO1 (0.61) | NQO1MAOAMAOBTSHRTDP1 | |
| SCHEMBL9180792 | 0.76 | CYP2C9 (0.39) | NQO1MAOAMAOBMAPTALDH1A1 | |
| SCHEMBL9180788 | 0.76 | CYP2C9 (0.39) | NQO1MAOAMAOBMAPTALDH1A1 | |
| SCHEMBL8728119 | 0.75 | KDM1A (0.48) | TSHRALDH1A1KMT2A | |
| SCHEMBL11277532 | 0.73 | ESR2 (0.49) | NQO1MAOAMAOBTSHRTDP1 |
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 |