Known targets — ChEMBL curated mechanism
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The experimentally established mechanism targets of Piperonyl Butoxide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.87 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.87 |
| ▸ | TSHR | P16473 | 2/20 | 0.87 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 5/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Piperonyl Butoxide SCHEMBL7624026 | 0.99 | CYP3A4 (0.85) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Piperonyl Butoxide SCHEMBL3046182 | 0.99 | CYP3A4 (0.85) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Piperonyl Butoxide SCHEMBL3290495 | 0.95 | CYP3A4 (0.92) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Piperonyl Butoxide SCHEMBL17765367 | 0.93 | CYP3A4 (0.89) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Di(Hydroxyethyl)Ether SCHEMBL6064617 | 0.93 | CYP3A4 (0.84) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Piperonyl Butoxide SCHEMBL29386186 | 0.93 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Piperonyl Butoxide SCHEMBL5490 | 0.93 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Piperonyl Butoxide SCHEMBL1517385 | 0.93 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| SCHEMBL9958244 | 0.93 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Piperonyl Butoxide SCHEMBL6561910 | 0.93 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRHPGDMEN1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1535354-A4 | CURED COMPOSITE MATERIALS FOR REACTIVE METAL BATTERY ELECTROLYTES | BECHTEL BWXT IDAHO LLC (US) | 2007-10-31 | — | — | EP | claimed |
| EP-1535354-A2 | CURED COMPOSITE MATERIALS FOR REACTIVE METAL BATTERY ELECTROLYTES | Bechtel BWXT Idaho, LLC (US) | 2005-06-01 | — | — | EP | claimed |
| WO-2004008558-A2 | CURED COMPOSITE MATERIALS FOR REACTIVE METAL BATTERY ELECTROLYTES | BECHTEL BWXT IDAHO, LLC (US) | 2004-01-22 | — | — | WO | claimed |
| US-9640801-B2 | Process for producing catalyst carrier, process for producing composite catalyst, composite catalyst, and fuel cell using same | SHOWA DENKO K.K. (JP) | 2017-05-02 | — | — | US | disclosed |
| US-9387464-B2 | Iron oxide-zirconia composite oxide and method for producing same, and exhaust gas purification catalyst | TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) | 2016-07-12 | — | — | US | disclosed |
| US-20160190605-A1 | PROCESS FOR PRODUCING CATALYST CARRIER, PROCESS FOR PRODUCING COMPOSITE CATALYST, COMPOSITE CATALYST, AND FUEL CELL USING SAME | SHOWA DENKO K.K. (JP) | 2016-06-30 | — | — | US | disclosed |
| US-9318749-B2 | Process for producing catalyst carrier, process for producing composite catalyst, composite catalyst, and fuel cell using same | SHOWA DENKO K.K. (JP) | 2016-04-19 | — | — | US | disclosed |
| US-20150080211-A1 | IRON OXIDE-ZIRCONIA COMPOSITE OXIDE AND METHOD FOR PRODUCING SAME, AND EXHAUST GAS PURIFICATION CATALYST | TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) | 2015-03-19 | — | — | US | disclosed |
| EP-2805919-A1 | IRON OXIDE-ZIRCONIA COMPOSITE OXIDE AND METHOD FOR PRODUCING SAME, AND EXHAUST GAS PURIFICATION CATALYST | Toyota Jidosha Kabushiki Kaisha (JP) | 2014-11-26 | — | — | EP | disclosed |
| US-20140023879-A1 | SURFACE-TREATED STEEL SHEET AND METHOD OF MANUFACTURING THE SAME | NIPPON STEEL CORPORATION (JP) | 2014-01-23 | — | — | US | disclosed |
| EP-2666541-A1 | CATALYST CARRIER PRODUCTION METHOD, COMPOSITE CATALYST PRODUCTION METHOD, COMPOSITE CATALYST, FUEL CELL USING SAME | SHOWA DENKO K.K. (JP) | 2013-11-27 | — | — | EP | disclosed |
| US-20130302715-A1 | PROCESS FOR PRODUCING CATALYST CARRIER, PROCESS FOR PRODUCING COMPOSITE CATALYST, COMPOSITE CATALYST, AND FUEL CELL USING SAME | SHOWA DENKO K.K. (JP) | 2013-11-14 | — | — | US | disclosed |
| EP-0944419-A4 | NANOMETER SIZED METAL OXIDE PARTICLES FOR AMBIENT TEMPERATURE ADSORPTION OF TOXIC CHEMICALS | UNIV KANSAS STATE (US) | 2003-09-10 | — | — | EP | disclosed |
| EP-0944419-A1 | NANOMETER SIZED METAL OXIDE PARTICLES FOR AMBIENT TEMPERATURE ADSORPTION OF TOXIC CHEMICALS | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998007493-A1 | NANOMETER SIZED METAL OXIDE PARTICLES FOR AMBIENT TEMPERATURE ADSORPTION OF TOXIC CHEMICALS | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1998-02-26 | — | — | WO | disclosed |
| US-4429163-A | CATALYTIC OXIDATION OF A P-CRESOL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1984-01-31 | — | — | US | disclosed |