Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.56 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CES1 | P23141 | 3/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TGM2 | P21980 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28065922 | 0.86 | CES1 (0.50) | AKT1NFE2L2ALDH1A1CES1CES2 | |
| SCHEMBL6154724 | 0.79 | AKT1 (0.52) | AKT1NFE2L2ALDH1A1CES1CES2 | |
| SCHEMBL669455 | 0.79 | CA12 (0.50) | AKT1ALDH1A1CA12CA1CA2 | |
| SCHEMBL63954 | 0.77 | CES1 (0.50) | AKT1NFE2L2ALDH1A1CES1CES2 | |
| SCHEMBL776748 | 0.76 | AKT1 (0.48) | AKT1NFE2L2ALDH1A1CES1CES2 | |
| SCHEMBL1320542 | 0.75 | MEN1 (0.49) | ALDH1A1CES1CES2CA1CA2 | |
| SCHEMBL3661967 | 0.75 | KDM4E (0.48) | ALDH1A1TSHRNAPRTCA12CA1 | |
| SCHEMBL1490953 | 0.75 | GSK3B (0.49) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL16061419 | 0.75 | ALDH5A1 (0.50) | AKT1ALDH1A1CES2CA12CA1 | |
| SCHEMBL7786865 | 0.75 | CA1 (0.50) | ALDH1A1TSHRCA12CA1CA2 |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4076456-A1 | SIGMA-1 RECEPTOR LIGANDS AND THERAPEUTIC USES THEREOF | Université de Strasbourg (FR) | 2022-10-26 | — | — | EP | disclosed |
| WO-2021123174-A1 | SIGMA-1 RECEPTOR LIGANDS AND THERAPEUTIC USES THEREOF | UNIVERSITE DE STRASBOURG (FR) | 2021-06-24 | — | — | WO | disclosed |
| CN-110183320-A | A kind of polyenoid diketone anti-tumor compounds | 四川大学 | 2019-08-30 | — | — | CN | disclosed |
| EP-3356343-A1 | PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS | Syngenta Participations AG (CH) | 2018-08-08 | — | — | EP | disclosed |
| EP-3160948-A1 | BENZOXAZINONE AMIDES AS MINERALOCORTICOID RECEPTOR MODULATORS | Astrazeneca AB (SE) | 2017-05-03 | — | — | EP | disclosed |
| EP-3104701-A1 | FACTOR XIA INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-12-21 | — | — | EP | disclosed |
| WO-2016001631-A1 | BENZOXAZINONE AMIDES AS MINERALOCORTICOID RECEPTOR MODULATORS | ASTRAZENECA AB (SE) | 2016-01-07 | — | — | WO | disclosed |
| WO-2015123090-A1 | FACTOR XIA INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-08-20 | — | — | WO | disclosed |
| WO-2014035872-A1 | TRICYCLIC ALKYNES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN | AMGEN INC. (US) | 2014-03-06 | — | — | WO | disclosed |
| WO-2013173382-A1 | BENZOTHIOPHENE SULFONAMIDES AND OTHER COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN | AMGEN INC. (US) | 2013-11-21 | — | — | WO | disclosed |
| WO-2010005384-A1 | KETONE PYRIDINE ANALOGUES AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISORDERS | ASTRAZENECA AB (SE) | 2010-01-14 | — | — | WO | disclosed |
| WO-2010005385-A1 | 2-AMINO-6-ALKYL SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS P2Y12 INHIBITORS 308 | ASTRAZENECA AB (SE) | 2010-01-14 | — | — | WO | disclosed |
| WO-2009011627-A1 | PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS | ASTRAZENECA AB (SE) | 2009-01-22 | — | — | WO | disclosed |
| WO-2009007300-A2 | SUBSTITUTED AMINO-QUINAZOLINONES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-01-15 | — | — | WO | disclosed |
| WO-2008085119-A1 | NEW PYRIDINE ANALOGUES VIII 518 | ASTRAZENECA AB (SE) | 2008-07-17 | — | — | WO | disclosed |
| WO-2007090627-A1 | METHODS BASED ON UV RADIATION-INDUCED CHANGES IN A CRYSTAL OF A COMPOUND AND DEVICE FOR DETERMINING A THREE-DIMENSIONAL STRUCTURE OF SUCH COMPOUND | EMBL (DE) | 2007-08-16 | — | — | WO | disclosed |
| EP-1558621-A2 | METHOD FOR THE PRODUCTION OF COMPOUNDS CONTAINING PALLADIUM (0) | Umicore AG & Co. KG (DE) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004039819-A2 | METHOD FOR THE PRODUCTION OF COMPOUNDS CONTAINING PALLADIUM (0) | UMICORE AG & CO. KG (DE) | 2004-05-13 | — | — | WO | disclosed |
| EP-1159362-A1 | SUBSTANCE FOR BONDING, COATING AND SEALING, CONSISTING OF CYANOACRYLATES AND ALDEHYDE OR KETONE CONDENSATION PRODUCTS | Henkel Kommanditgesellschaft auf Aktien (DE) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000032709-A1 | SUBSTANCE FOR BONDING, COATING AND SEALING, CONSISTING OF CYANOACRYLATES AND ALDEHYDE OR KETONE CONDENSATION PRODUCTS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2000-06-08 | — | — | WO | disclosed |