Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 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 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL6748514 | 1.00 | CYP1A2 (0.50) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL9552363 | 0.94 | CYP1A2 (0.45) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL9407012 | 0.93 | CYP1A2 (0.58) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL9407009 | 0.93 | CYP1A2 (0.58) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL10802253 | 0.92 | CYP1A2 (0.43) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL10802256 | 0.92 | CYP1A2 (0.43) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL7767689 | 0.91 | CYP1A2 (0.50) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL7767692 | 0.91 | CYP1A2 (0.50) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL9155704 | 0.91 | CYP1A2 (0.50) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL9155708 | 0.91 | CYP1A2 (0.50) | 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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0670322-B1 | A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | SHINETSU CHEMICAL CO (JP) | 2000-01-19 | — | — | EP | disclosed |
| US-5582764-A | Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-12-10 | — | — | US | disclosed |
| EP-0568040-B1 | Cyclohexane derivative and liquid crystal composition containing the same | CHISSO CORP (JP) | 1996-12-04 | — | — | EP | disclosed |
| EP-0456793-B1 | HALOPHENYL SUBSTITUTED HETEROCYCLIC DERIVATIVES | MERCK PATENT GMBH (DE) | 1996-10-23 | — | — | EP | disclosed |
| US-5468421-A | Cyclohexane derivative and liquid crystal composition containing the same | CHISSO CORPORATION (JP) | 1995-11-21 | — | — | US | disclosed |
| EP-0670322-A1 | A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | Shin-Etsu Chemical Co., Ltd. (JP) | 1995-09-06 | — | — | EP | disclosed |
| EP-0568040-A1 | Cyclohexane derivative and liquid crystal composition containing the same | CHISSO CORPORATION (JP) | 1993-11-03 | — | — | EP | disclosed |
| WO-1991009016-A2 | HALOPHENYL SUBSTITUTED HETEROCYCLIC DERIVATIVES | MERCK PATENT GMBH (DE) | 1991-06-27 | — | — | WO | disclosed |
| WO-1991009016-A1 | HALOPHENYL SUBSTITUTED HETEROCYCLIC DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-06-27 | — | — | WO | disclosed |
| EP-0373191-A1 | HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES. | MERCK PATENT GMBH (DE) | 1990-06-20 | — | — | EP | disclosed |
| EP-0354434-A2 | Process for the preparation of rod-like compounds | MERCK PATENT GmbH (DE) | 1990-02-14 | — | — | EP | disclosed |
| EP-0338054-A1 | CROSS COUPLING OF TITANIUM ORGANYLS | MERCK PATENT GmbH (DE) | 1989-10-25 | — | — | EP | disclosed |
| WO-1989008649-A1 | HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |
| EP-0332024-A1 | Heterocyclic derivatives of 1,2-difluorobenzene | MERCK PATENT GmbH (DE) | 1989-09-13 | — | — | EP | disclosed |
| WO-1989003812-A1 | CROSS COUPLING OF TITANIUM ORGANYLS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-05-05 | — | — | WO | disclosed |
| EP-0282542-A1 | PROCESS FOR THE PRODUCTION OF ALKYLENE OR CYCLICALLY LINKED COMPOUNDS. | MERCK PATENT GMBH (DE) | 1988-09-21 | — | — | EP | disclosed |
| WO-1988002357-A2 | PROCESS FOR THE PRODUCTION OF ALKYLENE OR CYCLICALLY LINKED COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1988-04-07 | — | — | WO | disclosed |
| US-4630896-A | Benzonitriles | HOFFMANN-LA ROCHE INC. (US) | 1986-12-23 | — | — | US | disclosed |