Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | CNR1 | P21554 | 2/20 | 0.31 |
| ▸ | CNR2 | P34972 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.31 |
| ▸ | SIRT3 | Q9NTG7 | 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 | |
|---|---|---|---|---|
| SCHEMBL9283642 | 0.82 | ESR1 (0.38) | GABRA1GABRB2ESR1ESR2FEN1 | |
| SCHEMBL9282221 | 0.76 | GABRA1 (0.44) | GABRA1GABRB2ESR1ESR2MEN1 | |
| SCHEMBL8048562 | 0.74 | — | — | |
| SCHEMBL8048568 | 0.74 | — | — | |
| SCHEMBL7466618 | 0.74 | MAPT (0.45) | ESR1FEN1MEN1GAAMAPT | |
| SCHEMBL9427345 | 0.68 | GABRA1 (0.39) | GABRA1GABRB2ESR1ESR2FEN1 | |
| SCHEMBL13978653 | 0.68 | GABRA1 (0.67) | GABRA1GABRB2ESR1ESR2MEN1 | |
| SCHEMBL6673193 | 0.67 | HTR2C (0.34) | GABRA1GABRB2GAAPOLBKDM4E | |
| SCHEMBL8427259 | 0.66 | MAPT (0.40) | MEN1MAPTKMT2A | |
| SCHEMBL11600032 | 0.66 | GABRA1 (0.55) | GABRA1GABRB2MEN1GAAMAPT |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0482024-B1 | CHIRAL OR ACHIRAL RING COMPOUNDS | MERCK PATENT GMBH (DE) | 1995-05-24 | — | — | EP | disclosed |
| EP-0373191-B1 | HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES | MERCK PATENT GMBH (DE) | 1994-07-13 | — | — | EP | disclosed |
| US-5232624-A | Components of tilted smectic liquid-crystalline phases | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-08-03 | — | — | US | disclosed |
| EP-0332025-B1 | CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENES | MERCK PATENT GmbH (DE) | 1993-06-23 | — | — | EP | disclosed |
| US-5209866-A | HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-05-11 | — | — | US | disclosed |
| EP-0482024-A1 | CHIRAL OR ACHIRAL RING COMPOUNDS. | MERCK PATENT GMBH (DE) | 1992-04-29 | — | — | EP | disclosed |
| WO-1991000897-A1 | CHIRAL OR ACHIRAL RING COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-01-24 | — | — | WO | disclosed |
| EP-0373191-A1 | HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES. | MERCK PATENT GMBH (DE) | 1990-06-20 | — | — | EP | disclosed |
| EP-0357739-A1 | CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENE | MERCK PATENT GmbH (DE) | 1990-03-14 | — | — | EP | disclosed |
| WO-1989008649-A1 | HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |
| WO-1989008639-A1 | CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENE | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |
| EP-0332025-A1 | Chiral derivatives of 1,2-difluorobenzenes | MERCK PATENT GmbH (DE) | 1989-09-13 | — | — | EP | disclosed |
| EP-0332024-A1 | Heterocyclic derivatives of 1,2-difluorobenzene | MERCK PATENT GmbH (DE) | 1989-09-13 | — | — | EP | disclosed |