Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of 3,5-Dimethoxybenzoic 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 | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CASR | P41180 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| 3,5-Dimethoxybenzoic Acid SCHEMBL503889 | 0.88 | RXRA (0.64) | RXRACA1CA2KDM4EPLA2G2A | |
| 3,5-Dimethoxybenzoic Acid SCHEMBL20592058 | 0.86 | RXRA (0.62) | RXRACA1CA2KDM4EPLA2G2A | |
| 3,5-Dimethoxybenzoic Acid SCHEMBL5668197 | 0.86 | RXRA (0.62) | RXRACA1CA2KDM4EPLA2G2A | |
| 3,5-Dimethoxybenzoic Acid SCHEMBL11236187 | 0.84 | RXRA (0.56) | RXRACA1CA2CASRKDM4E | |
| 3,5-Dimethoxybenzoic Acid SCHEMBL9426765 | 0.84 | RXRA (0.60) | RXRACA1CA2KDM4EPLA2G2A | |
| SCHEMBL39734 | 0.83 | CA1 (0.60) | RXRACA1CA2KDM4ECA12 | |
| SCHEMBL14812371 | 0.82 | PLA2G2A (0.57) | RXRACA1CA2CASRKDM4E | |
| SCHEMBL25508690 | 0.82 | RXRA (0.58) | RXRACA1CA2KDM4EPLA2G2A | |
| SCHEMBL12480647 | 0.81 | RXRA (0.46) | RXRACA1CA2CASRKDM4E | |
| Hydrochloric Acid SCHEMBL3361588 | 0.81 | CA1 (0.58) | RXRACA1CA2KDM4ECA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004087933-A2 | A NOVEL ENCODING METHOD FOR 'ONE-BEAD ONE-COMPOUND' COMBINATORIAL LIBRARIES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2004-10-14 | — | — | WO | disclosed |