Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Propane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 4/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Ethane SCHEMBL11356902 | 0.90 | CYP3A4 (0.43) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Propane SCHEMBL27796760 | 0.73 | CYP3A4 (0.75) | TDP1CYP3A4TP53ESR1ESR2 | |
| Propane SCHEMBL28233649 | 0.73 | CYP3A4 (0.75) | TDP1CYP3A4TP53ESR1ESR2 | |
| Propane SCHEMBL7939002 | 0.72 | TDP1 (0.48) | TDP1CYP3A4TP53ESR1ESR2 | |
| Propane SCHEMBL5194963 | 0.72 | TDP1 (0.41) | TDP1CYP3A4TP53ESR1ESR2 | |
| Propane SCHEMBL8522373 | 0.69 | TDP1 (0.43) | TDP1CYP3A4TP53ESR1ESR2 | |
| Propane SCHEMBL5921754 | 0.69 | CYP3A4 (0.43) | TDP1CYP3A4TP53ESR1ESR2 | |
| Propane SCHEMBL16653926 | 0.67 | CYP3A4 (0.41) | TDP1CYP3A4TP53ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL18241085 | 0.67 | TDP1 (0.41) | TDP1CYP3A4TP53ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL10518666 | 0.67 | TDP1 (0.41) | TDP1CYP3A4TP53ESR1ESR2 |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8394916-B2 | Method for the production of thiophene oligomers | BAYER TECHNOLOGY SERVICES GMBH (DE) | 2013-03-12 | — | — | US | claimed |
| US-8168745-B2 | Process for the preparation of poly- and oligothiophenes on an industrial scale | BAYER TECHNOLOGY SERVICES GMBH (DE) | 2012-05-01 | — | — | US | claimed |
| US-20100190954-A1 | PROCESS FOR THE PREPARATION OF POLY- AND OLIGOTHIOPHENES ON AN INDUSTRIAL SCALE | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2010-07-29 | — | — | US | claimed |
| US-20100190945-A1 | METHOD FOR THE PRODUCTION OF THIOPHENE OLIGOMERS | BAYER TECHNOLOGY SERVICES GMBH (DE) | 2010-07-29 | — | — | US | claimed |
| US-20100179301-A1 | PROCESS FOR SYNTHESIZING OLIGO/POLYTHIOPHENES BY A \"ONE-POT\" SYNTHESIS ROUTE | BAYER TECHNOLOGY SERVICES GMBH (DE) | 2010-07-15 | — | — | US | claimed |
| EP-2178943-A1 | METHOD FOR THE PRODUCTION OF THIOPHENE OLIGOMERS | Bayer Technology Services GmbH (DE) | 2010-04-28 | — | — | EP | claimed |
| EP-2167565-A1 | PROCESS FOR SYNTHESIZING OLIGO/POLYTHIOPHENES BY A 'ONE-POT' SYNTHESIS ROUTE | Bayer Technology Services GmbH (DE) | 2010-03-31 | — | — | EP | claimed |
| WO-2009021639-A1 | METHOD FOR THE PRODUCTION OF THIOPHENE OLIGOMERS | BAYER TECHNOLOGY SERVICES GMBH (DE) | 2009-02-19 | — | — | WO | claimed |
| WO-2009007012-A1 | PROCESS FOR SYNTHESIZING OLIGO/POLYTHIOPHENES BY A 'ONE-POT' SYNTHESIS ROUTE | BAYER TECHNOLOGY SERVICES GMBH (DE) | 2009-01-15 | — | — | WO | claimed |
| EP-2679592-B1 | NOVEL HETEROCYCLIC COMPOUND, METHOD FOR PRODUCING INTERMEDIATE THEREFOR, AND USE THEREOF | NIPPON KAYAKU KK (JP) | 2018-10-03 | — | — | EP | disclosed |
| EP-2889301-B1 | Novel heterocyclic compound, method for producing intermediate therefor, and use thereof | NIPPON KAYAKU KK (JP) | 2017-10-25 | — | — | EP | disclosed |
| EP-2889301-A1 | Novel heterocyclic compound, method for producing intermediate therefor, and use thereof | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2015-07-01 | — | — | EP | disclosed |
| US-9018630-B2 | Heterocyclic dinaphtho thieno thiophene (DNTT) compounds for use as organic semiconductor thin films in field effect transistors and related methods | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2015-04-28 | — | — | US | disclosed |
| US-20130330876-A1 | Novel Heterocyclic Compound, Method For Producing Intermediate Therefor, And Use Thereof | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2013-12-12 | — | — | US | disclosed |
| EP-2121798-A1 | METHOD FOR SYNTHESIZING THIOPHENES | Bayer Technology Services GmbH (DE) | 2009-11-25 | — | — | EP | disclosed |
| WO-2009021639-A1 | METHOD FOR THE PRODUCTION OF THIOPHENE OLIGOMERS | BAYER TECHNOLOGY SERVICES GMBH (DE) | 2009-02-19 | — | — | WO | disclosed |
| WO-2009015810-A2 | PROCESS FOR THE PREPARATION OF POLY- AND OLIGOTHIOPHENES ON AN INDUSTRIAL SCALE | BAYER TECHNOLOGY SERVICES GMBH (DE) | 2009-02-05 | — | — | WO | disclosed |
| WO-2009007012-A1 | PROCESS FOR SYNTHESIZING OLIGO/POLYTHIOPHENES BY A 'ONE-POT' SYNTHESIS ROUTE | BAYER TECHNOLOGY SERVICES GMBH (DE) | 2009-01-15 | — | — | WO | disclosed |
| WO-2008080512-A1 | METHOD FOR SYNTHESIZING THIOPHENES | BAYER TECHNOLOGY SERVICES GMBH (DE) | 2008-07-10 | — | — | WO | disclosed |
| WO-2008080513-A1 | METHOD FOR OBTAINING THIOPHENE OLIGOMERS | BAYER TECHNOLOGY SERVICES GMBH (DE) | 2008-07-10 | — | — | WO | disclosed |