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 | 0.89 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.89 |
| ▸ | TSHR | P16473 | 2/20 | 0.89 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.33 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.33 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.33 |
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 SCHEMBL3290495 | 0.99 | CYP3A4 (0.92) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Piperonyl Butoxide SCHEMBL16431 | 0.96 | CYP3A4 (0.97) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Piperonyl Butoxide SCHEMBL9066646 | 0.94 | CYP3A4 (0.94) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Piperonyl Butoxide SCHEMBL8511783 | 0.94 | CYP3A4 (0.94) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Piperonyl Butoxide SCHEMBL2997422 | 0.94 | CYP3A4 (0.94) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Piperonyl Butoxide SCHEMBL29386186 | 0.94 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| SCHEMBL9958244 | 0.94 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Piperonyl Butoxide SCHEMBL6561910 | 0.94 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Piperonyl Butoxide SCHEMBL1517385 | 0.94 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRHPGDMEN1 | |
| Piperonyl Butoxide SCHEMBL5490 | 0.94 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10020502-B2 | Positive active material for rechargeable lithium battery, method of preparing same, and rechargeable lithium battery including same | SAMSUNG SDI CO., LTD. (KR) | 2018-07-10 | — | — | US | disclosed |
| US-20160149215-A1 | POSITIVE ACTIVE MATERIAL FOR RECHARGEABLE LITHIUM BATTERY, METHOD OF PREPARING SAME, AND RECHARGEABLE LITHIUM BATTERY INCLUDING SAME | SAMSUNG SDI CO., LTD. (KR) | 2016-05-26 | — | — | US | disclosed |