Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.80 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.38 |
| ▸ | ADH1A | P07327 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | ADH1C | P00326 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10783863 | 1.00 | ALDH1A1 (0.80) | ALDH1A1HSD17B10SLC18A3ADH1ATHRB | |
| SCHEMBL17556613 | 1.00 | ALDH1A1 (0.80) | ALDH1A1HSD17B10SLC18A3ADH1ATHRB | |
| SCHEMBL3762881 | 1.00 | ALDH1A1 (0.80) | ALDH1A1HSD17B10SLC18A3ADH1ATHRB | |
| SCHEMBL31443055 | 1.00 | ALDH1A1 (0.80) | ALDH1A1HSD17B10SLC18A3ADH1ATHRB | |
| SCHEMBL10596318 | 1.00 | ALDH1A1 (0.80) | ALDH1A1HSD17B10SLC18A3ADH1ATHRB | |
| SCHEMBL335119 | 1.00 | ALDH1A1 (0.80) | ALDH1A1HSD17B10SLC18A3ADH1ATHRB | |
| SCHEMBL8493093 | 1.00 | ALDH1A1 (0.80) | ALDH1A1HSD17B10SLC18A3ADH1ATHRB | |
| SCHEMBL435762 | 1.00 | ALDH1A1 (0.80) | ALDH1A1HSD17B10SLC18A3ADH1ATHRB | |
| Biphenyl SCHEMBL2997707 | 0.95 | ALDH1A1 (0.89) | ALDH1A1HSD17B10SLC18A3THRBCES2 | |
| SCHEMBL7741464 | 0.95 | ALDH1A1 (0.89) | ALDH1A1HSD17B10SLC18A3THRBCES2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1751088-B1 | OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2014-10-08 | — | — | EP | claimed |
| EP-1751088-A1 | OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2007-02-14 | — | — | EP | claimed |
| WO-2005110970-A1 | OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2005-11-24 | — | — | WO | claimed |
| CN-116406272-A | DNA-PK selective inhibitor and preparation method and application thereof | 首药控股(北京)股份有限公司 | 2023-07-07 | — | — | CN | disclosed |
| WO-2022017368-A1 | DNA-PK SELECTIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 首药控股(北京)股份有限公司 | 2022-01-27 | — | — | WO | disclosed |
| EP-1751088-B1 | OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2014-10-08 | — | — | EP | disclosed |
| EP-1751088-A1 | OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005110970-A1 | OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2005-11-24 | — | — | WO | disclosed |
| EP-0873989-B1 | Process for the preparation of distyryl-biphenyl compounds | CIBA SC HOLDING AG (CH) | 2002-03-20 | — | — | EP | disclosed |
| US-5883096-A | DI-N-SUBSTITUTED PIPERAZINE DERIVATIVES; ALZHEIMER*S DISEASE, COGNITION ACTIVATORS; SYNERGISTIC MIXTURES WITH ACETYLCHOLINESTERASE INHIBITORS | SCHERING CORPORATION (US) | 1999-03-16 | — | — | US | disclosed |
| EP-0873989-A2 | Process for the preparation of distyryl-biphenyl compounds | Ciba SC Holding AG (CH) | 1998-10-28 | — | — | EP | disclosed |