Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LSS | P48449 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8418692 | 1.00 | CYP1A2 (0.50) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL10450407 | 0.98 | CYP1A2 (0.48) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL10347389 | 0.98 | CYP1A2 (0.48) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL10450406 | 0.98 | CYP1A2 (0.48) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL7210018 | 0.94 | CYP1A2 (0.45) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL10569484 | 0.87 | CYP1A2 (0.62) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL183947 | 0.87 | — | — | |
| SCHEMBL10569491 | 0.87 | CYP1A2 (0.62) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL11124019 | 0.87 | CYP1A2 (0.62) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL10347388 | 0.87 | CYP1A2 (0.39) | CYP1A2HTTLMNAMAPK1PKM |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0648773-B1 | A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | SHINETSU CHEMICAL CO (JP) | 1999-09-08 | — | — | EP | disclosed |
| US-5547606-A | Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-08-20 | — | — | US | disclosed |
| EP-0648773-A1 | A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | Shin-Etsu Chemical Co., Ltd. (JP) | 1995-04-19 | — | — | EP | disclosed |
| US-5389294-A | Chlorobenzene derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-02-14 | — | — | US | disclosed |
| US-5279764-A | Dihalogenobenzene derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-01-18 | — | — | US | disclosed |
| US-5204019-A | Liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-04-20 | — | — | US | disclosed |
| US-5087764-A | Deprotonation of a 1-substituted-2,3-difluorobenzene using an organometallic compound and reacting the reaction product with an electrophile | Merck Patent Gesellschaft mit beschrankter Hafung (DE) | 1992-02-11 | — | — | US | disclosed |
| EP-0429574-A1 | CHLOROBENZENE DERIVATIVES | MERCK PATENT GmbH (DE) | 1991-06-05 | — | — | EP | disclosed |
| WO-1990014405-A1 | CHLOROBENZENE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-11-29 | — | — | WO | disclosed |
| US-4925590-A | Derivatives of 4-cyano-2,3-difluorophenol | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-05-15 | — | — | US | disclosed |
| EP-0363458-A1 | 2,3-DIFLUOROBENZENES. | MERCK PATENT GMBH (DE) | 1990-04-18 | — | — | EP | disclosed |
| WO-1989008629-A1 | PROCESS FOR PREPARING 2,3-DIFLUOROBENZENES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |