Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Protocatechuic Acid. 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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.86 |
| ▸ | CA1 | P00915 | 5/20 | 0.86 |
| ▸ | CA2 | P00918 | 5/20 | 0.86 |
| ▸ | CA7 | P43166 | 5/20 | 0.86 |
| ▸ | CA9 | Q16790 | 5/20 | 0.86 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.86 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.86 |
| ▸ | GAA | P10253 | 3/20 | 0.86 |
| ▸ | MAPT | P10636 | 2/20 | 0.86 |
| ▸ | CA4 | P22748 | 2/20 | 0.86 |
| ▸ | CA6 | P23280 | 2/20 | 0.86 |
| ▸ | POLB | P06746 | 1/20 | 0.86 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.86 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.86 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | DBH | P09172 | 1/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | XDH | P47989 | 1/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | MYC | P01106 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Protocatechuic Acid SCHEMBL29446274 | 1.00 | CA12 (0.86) | CA12CA1CA2CA7CA9 | |
| Protocatechuic Acid SCHEMBL30030432 | 0.93 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| Protocatechuic Acid SCHEMBL29350008 | 0.93 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| Protocatechuic Acid SCHEMBL39435 | 0.93 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| Protocatechuic Acid SCHEMBL27815804 | 0.93 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| Protocatechuic Acid SCHEMBL23495982 | 0.91 | CA12 (0.95) | CA12CA1CA2CA7CA9 | |
| Protocatechuic Acid SCHEMBL2274950 | 0.91 | CA12 (0.95) | CA12CA1CA2CA7CA9 | |
| Protocatechuic Acid SCHEMBL30767247 | 0.91 | CA12 (0.95) | CA12CA1CA2CA7CA9 | |
| Protocatechuic Acid SCHEMBL9491440 | 0.91 | CA12 (0.95) | CA12CA1CA2CA7CA9 | |
| Protocatechuic Acid SCHEMBL28487427 | 0.91 | CA12 (0.95) | CA12CA1CA2CA7CA9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114195640-A | Synthetic process of hydroxytyrosol and intermediate thereof | 攀枝花学院 | 2022-03-18 | — | — | CN | disclosed |