Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Piperonal. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.79 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.79 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.79 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Piperonal SCHEMBL16161395 | 0.95 | ALDH1A1 (0.82) | ALDH1A1HSD17B10TDP1CYP1A2KDM4E | |
| Piperonal SCHEMBL29411164 | 0.89 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TDP1CYP1A2KDM4E | |
| Piperonal SCHEMBL1864802 | 0.89 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TDP1CYP1A2KDM4E | |
| Piperonal SCHEMBL29318 | 0.89 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TDP1CYP1A2KDM4E | |
| Piperonal SCHEMBL5958791 | 0.87 | ALDH1A1 (0.96) | ALDH1A1HSD17B10TDP1CYP1A2KDM4E | |
| Piperonal SCHEMBL28017062 | 0.87 | ALDH1A1 (0.96) | ALDH1A1HSD17B10TDP1CYP1A2KDM4E | |
| Piperonal SCHEMBL5839673 | 0.86 | ALDH1A1 (0.79) | ALDH1A1HSD17B10TDP1CYP1A2KDM4E | |
| Piperonal SCHEMBL28534378 | 0.86 | ALDH1A1 (0.85) | ALDH1A1HSD17B10TDP1CYP1A2KDM4E | |
| Piperonal SCHEMBL8037629 | 0.85 | ALDH1A1 (0.72) | ALDH1A1HSD17B10TDP1CYP1A2KDM4E | |
| Piperonal SCHEMBL1774149 | 0.84 | ALDH1A1 (0.82) | ALDH1A1HSD17B10TDP1KDM4ECYP3A4 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114929194-A | Cosmetic composition comprising melanoidins | 卡夫布埃诺有限公司 | 2022-08-19 | — | — | CN | disclosed |
| CN-113993573-A | Skin treatment system | 美国帕拉福音有限公司 | 2022-01-28 | — | — | CN | disclosed |
| CN-108688118-B | Method for producing a polymer tube filled with liquid and sealed at fixed intervals and device for producing said polymer tube | 信越化学工业株式会社 | 2021-12-14 | — | — | CN | disclosed |
| CN-111565571-A | Synergistic pesticidal compositions and methods for delivery of active ingredients | 0903608 B.C.有限公司 | 2020-08-21 | — | — | CN | disclosed |
| CN-111565572-A | Synergistic pesticidal compositions and methods for delivering active ingredients | 0903608 B.C.有限公司 | 2020-08-21 | — | — | CN | disclosed |
| US-20090010958-A1 | Compositions effective in altering the perception of malodor | PATUS LTD. (IL) | 2009-01-08 | — | — | US | disclosed |
| US-20070065394-A1 | Compositions effective in altering the perception of malodor | PATUS LTD. (IL) | 2007-03-22 | — | — | US | disclosed |
| WO-2005046632-A9 | COMPOSITIONS EFFECTIVE IN ALTERING THE PERCEPTION OF MALODOR | PATUS LTD (IL) | 2005-09-22 | — | — | WO | disclosed |