Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol
The experimentally established mechanism targets of 3,4,5-Trimethoxybenzoic 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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.58 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | TNFRSF1A | P19438 | 3/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.50 |
| ▸ | TPMT | P51580 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.46 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.45 |
| ▸ | TUBB | P07437 | 2/20 | 0.45 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.45 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.45 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.45 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.45 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL11023599 | 0.86 | TUBB4A (0.53) | ALDH1A1KDM4EABCG2TPMTHTT | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL10838605 | 0.86 | TUBB4A (0.53) | ALDH1A1KDM4EABCG2TPMTHTT | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL9739811 | 0.86 | TUBB4A (0.53) | ALDH1A1KDM4EABCG2TPMTHTT | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL10876055 | 0.84 | TPMT (0.66) | ALDH1A1KDM4EHTR1AHPGDHTR2C | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL10876063 | 0.84 | TPMT (0.66) | ALDH1A1KDM4EHTR1AHPGDHTR2C | |
| Baxitozine SCHEMBL6859777 | 0.83 | ABCG2 (0.66) | ALDH1A1KDM4EHTR1AHPGDHTR2C | |
| Baxitozine SCHEMBL9321098 | 0.83 | ABCG2 (0.66) | ALDH1A1KDM4EHTR1AHPGDHTR2C | |
| Sinapic Acid Methyl Ether SCHEMBL11832578 | 0.74 | KDM4E (0.84) | ALDH1A1KDM4EHTR1AHPGDHTR2C | |
| Sinapic Acid Methyl Ether SCHEMBL11832571 | 0.74 | KDM4E (0.84) | ALDH1A1KDM4EHTR1AHPGDHTR2C | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL6592 | 0.74 | TPMT (0.78) | ALDH1A1KDM4EHTR1AHPGDHTR2C |
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 |
|---|---|---|---|---|---|---|---|
| EP-0099109-B1 | PROCESS FOR PREPARING FREE-FLOWING ETHYLCELLULOSE MICROCAPSULES | Tanabe Seiyaku Co., Ltd. (JP) | 1986-04-02 | — | — | EP | disclosed |