Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 5/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | GCGR | P47871 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9501064 | 1.00 | CYP2C9 (0.40) | CYP2C9ESR2MAPTALDH1A1LMNA | |
| SCHEMBL16426520 | 0.91 | CYP2C9 (0.49) | CYP2C9ESR2MAPTALDH1A1LMNA | |
| SCHEMBL9561940 | 0.91 | CYP2C9 (0.49) | CYP2C9ESR2MAPTALDH1A1LMNA | |
| SCHEMBL7666214 | 0.90 | HDAC3 (0.43) | CYP2C9ESR2MAPTALDH1A1LMNA | |
| SCHEMBL7666207 | 0.90 | HDAC3 (0.43) | CYP2C9ESR2MAPTALDH1A1LMNA | |
| SCHEMBL7759051 | 0.87 | CYP3A4 (0.44) | CYP2C9ESR2MAPTALDH1A1LMNA | |
| SCHEMBL4799678 | 0.87 | CYP3A4 (0.44) | CYP2C9ESR2MAPTALDH1A1LMNA | |
| SCHEMBL8831427 | 0.87 | CYP3A4 (0.44) | CYP2C9ESR2MAPTALDH1A1LMNA | |
| SCHEMBL4799680 | 0.87 | CYP3A4 (0.44) | CYP2C9ESR2MAPTALDH1A1LMNA | |
| SCHEMBL9779666 | 0.87 | CYP2C9 (0.36) | CYP2C9ESR2MAPTALDH1A1LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0357727-B1 | 2,3-DIFLUOROBENZENE DERIVATIVES AND THEIR USE AS COMPONENTS OF LIQUID CRYSTAL MEDIA | MERCK PATENT GMBH (DE) | 1993-11-24 | — | — | EP | disclosed |
| US-5236620-A | 2,3-DIFLUOROBENZENE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-08-17 | — | — | US | disclosed |
| EP-0364538-B1 | DIFLUOROBENZOL DERIVATIVES | MERCK PATENT GmbH (DE) | 1992-05-06 | — | — | EP | disclosed |
| EP-0357727-A1 | 2,3-DIFLUOROBENZENE DERIVATIVES AND THEIR USE AS COMPONENTS OF LIQUID CRYSTAL MEDIA. | MERCK PATENT GMBH (DE) | 1990-03-14 | — | — | EP | disclosed |
| WO-1989008689-A1 | 2,3-DIFLUOROBENZENE DERIVATIVES AND THEIR USE AS COMPONENTS OF LIQUID CRYSTAL MEDIA | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |