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 | 5/20 | 0.97 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.97 |
| ▸ | TSHR | P16473 | 1/20 | 0.97 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 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 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 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 SCHEMBL2997422 | 0.99 | CYP3A4 (0.94) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Piperonyl Butoxide SCHEMBL1517385 | 0.98 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Piperonyl Butoxide SCHEMBL29386186 | 0.98 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| SCHEMBL9958244 | 0.98 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Piperonyl Butoxide SCHEMBL6561910 | 0.98 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Piperonyl Butoxide SCHEMBL5490 | 0.98 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Piperonyl Butoxide SCHEMBL11895771 | 0.97 | CYP3A4 (0.97) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Piperonyl Butoxide SCHEMBL9155914 | 0.97 | CYP3A4 (0.97) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Piperonyl Butoxide SCHEMBL4809313 | 0.97 | CYP3A4 (0.97) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Piperonyl Butoxide SCHEMBL1654891 | 0.97 | CYP3A4 (0.97) | 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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120091406-A1 | NANOCRYSTAL-METAL OXIDE-POLYMER COMPOSITES AND PREPARATION METHOD THEREOF | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2012-04-19 | — | — | US | claimed |
| EP-1585714-B1 | PROCESSES FOR THE PREPARATION OF HIGHER MOLECULAR WEIGHT KETONES | EASTMAN CHEM CO (US) | 2010-08-04 | — | — | EP | claimed |
| US-7071361-B2 | Processes for the preparation of high molecular weight saturated ketones | FASTMAN CHEMICAL COMPANY (US) | 2006-07-04 | — | — | US | claimed |
| EP-1638913-A1 | PROCESSES FOR PREPARING BETA-HYDROXY-KETONES AND ALPHA, BETA-UNSATURATED KETONES | EASTMAN CHEMICAL COMPANY (US) | 2006-03-29 | — | — | EP | claimed |
| EP-1616850-A1 | Processes for the preparation of higher molecular weight saturated ketones in the presence of hydrogen, an hydrogenation catalyst, an hydroxide or alkoxide of alkaline or alkaline earth metal and less than 16% water. | Eastman Chemical Company (US) | 2006-01-18 | — | — | EP | claimed |
| US-20050288533-A1 | PROCESSES FOR THE PREPARATION OF HIGHER MOLECULAR WEIGHT SATURATED KETONES | EASTMAN CHEMICAL COMPANY | 2005-12-29 | — | — | US | claimed |
| US-6979751-B2 | Processes for the preparation of higher molecular weight ketones | EASTMAN CHEMICAL COMPANY (US) | 2005-12-27 | — | — | US | claimed |
| US-6960694-B2 | Processes for preparing β-hydroxy-ketones and α,β-unsaturated ketones | EASTMAN CHEMICAL COMPANY (US) | 2005-11-01 | — | — | US | claimed |
| EP-1585714-A2 | PROCESSES FOR THE PREPARATION OF HIGHER MOLECULAR WEIGHT KETONES | EASTMAN CHEMICAL COMPANY (US) | 2005-10-19 | — | — | EP | claimed |
| WO-2005028406-A2 | PROCESSES FOR THE PREPARATION OF HIGHER MOLECULAR WEIGHT KETONES | EASTMAN CHEMICAL COMPANY (US) | 2005-03-31 | — | — | WO | claimed |
| WO-2005005361-A1 | PROCESSES FOR PREPARING BETA-HYDROXY-KETONES AND ALPHA, BETA-UNSATURATED KETONES | EASTMAN CHEMICAL COMPANY (US) | 2005-01-20 | — | — | WO | claimed |
| US-20050004401-A1 | Processes for preparing beta-hydroxy-ketones and alpha,beta-unsaturated ketones | EASTMAN CHEMICAL COMPANY | 2005-01-06 | — | — | US | claimed |
| US-20040122261-A1 | Processes for the preparation of higher molecular weight ketones | MCCUSKER-ORTH JENNIFER ELLEN (US) | 2004-06-24 | — | — | US | claimed |
| US-5275843-A | Manufacture of β-BaB2 O4 film by a sol-gel method | NGK SPARK PLUG CO., LTD. (JP) | 1994-01-04 | — | — | US | claimed |
| US-5271797-A | Method for patterning metal oxide thin film | ROHM CO., LTD. (JP) | 1993-12-21 | — | — | US | claimed |
| JP-1069516-A | — | — | None | — | — | JP | disclosed |
| EP-2258477-B1 | CATALYST AND MICHAEL ADDITION REACTION PROCESS | JAPAN SCIENCE & TECH AGENCY (JP) | 2015-03-25 | — | — | EP | disclosed |
| EP-0300561-A2 | Method for producing superconducting oxides and thin films of such oxides | Koninklijke Philips Electronics N.V. (NL) | 1989-01-25 | — | — | EP | disclosed |
| EP-0277020-A2 | Method of preparing a superconductive material | Director-General of the Agency of Industrial Science and Technology (JP) | 1988-08-03 | — | — | EP | disclosed |
| US-4021480-A | Process for the production of carnitine | LONZA LTD. (CH) | 1977-05-03 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050004401-A1 | Processes for preparing beta-hydroxy-ketones and alpha,beta-unsaturated ketones | EBP, CYP8B1, BCKDK | CYP3A4 322/4885ALDH1A1 39/4885TSHR 4352/4885 |
| US-20040122261-A1 | Processes for the preparation of higher molecular weight ketones | AKR1D1, ADH1C, AKR1C2 | CYP3A4 557/4885ALDH1A1 51/4885TSHR 2145/4885 |
| US-20050288533-A1 | PROCESSES FOR THE PREPARATION OF HIGHER MOLECULAR WEIGHT SATURATED KETONES | GK, SKP1, TKT | CYP3A4 3384/4885ALDH1A1 629/4885TSHR 4390/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.