Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hesperetin. 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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.63 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.63 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.91 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.91 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.91 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.91 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.91 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.91 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.91 |
| ▸ | MAPT | P10636 | 4/20 | 0.91 |
| ▸ | TP53 | P04637 | 3/20 | 0.91 |
| ▸ | CA12 | O43570 | 3/20 | 0.91 |
| ▸ | CA4 | P22748 | 3/20 | 0.91 |
| ▸ | CA7 | P43166 | 3/20 | 0.91 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.91 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.91 |
| ▸ | XDH | P47989 | 2/20 | 0.91 |
| ▸ | HPGD | P15428 | 2/20 | 0.91 |
| ▸ | PKM | P14618 | 2/20 | 0.91 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.91 |
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 | |
|---|---|---|---|---|
| Hesperetin SCHEMBL5202121 | 0.96 | CYP19A1 (1.00) | CYP19A1CYP3A4CYP1A1CYP1A2CYP1B1 | |
| Hesperetin SCHEMBL29359052 | 0.96 | CYP19A1 (1.00) | CYP19A1CYP3A4CYP1A1CYP1A2CYP1B1 | |
| Hesperetin SCHEMBL6422865 | 0.96 | CYP19A1 (1.00) | CYP19A1CYP3A4CYP1A1CYP1A2CYP1B1 | |
| Hesperetin SCHEMBL29484563 | 0.96 | CYP19A1 (1.00) | CYP19A1CYP3A4CYP1A1CYP1A2CYP1B1 | |
| Hesperetin SCHEMBL39833 | 0.96 | CYP19A1 (1.00) | CYP19A1CYP3A4CYP1A1CYP1A2CYP1B1 | |
| Hesperetin SCHEMBL765368 | 0.96 | CYP19A1 (1.00) | CYP19A1CYP3A4CYP1A1CYP1A2CYP1B1 | |
| Hesperetin SCHEMBL31689737 | 0.96 | CYP19A1 (1.00) | CYP19A1CYP3A4CYP1A1CYP1A2CYP1B1 | |
| Hesperetin SCHEMBL30696626 | 0.96 | CYP19A1 (1.00) | CYP19A1CYP3A4CYP1A1CYP1A2CYP1B1 | |
| Hesperetin SCHEMBL20929082 | 0.96 | CYP19A1 (1.00) | CYP19A1CYP3A4CYP1A1CYP1A2CYP1B1 | |
| Hesperetin SCHEMBL29534477 | 0.96 | CYP19A1 (1.00) | CYP19A1CYP3A4CYP1A1CYP1A2CYP1B1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4105675-A | REDUCING ACYLATED FLAVANONE WITH ALKALI BOROHYDRIDE TO REMOVE OXYGEN FUNCTION AT 4-POSITION; OXIDIZING WITH HALOGENATED BENZOQUINONE TO FORM SALT | THE COCA-COLA COMPANY (US) | 1978-08-08 | — | — | US | claimed |
| US-20060229358-A1 | Pharmaceutical composition containing flavonoids | TAIPEI MEDICAL UNIVERSITY (TW) | 2006-10-12 | — | — | US | disclosed |
| US-4105675-A | REDUCING ACYLATED FLAVANONE WITH ALKALI BOROHYDRIDE TO REMOVE OXYGEN FUNCTION AT 4-POSITION; OXIDIZING WITH HALOGENATED BENZOQUINONE TO FORM SALT | THE COCA-COLA COMPANY (US) | 1978-08-08 | — | — | 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 (1 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-20060229358-A1 | Pharmaceutical composition containing flavonoids | PDE4B, PDE4A, PDE3B | ESR1 2177/4885ESR2 1480/4885CYP19A1 727/4885 |
“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.