Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
The experimentally established mechanism targets of Benzoic 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 | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 3/20 | 0.45 |
| ▸ | BCR | P11274 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | SLC25A1 | P53007 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1014802 | 0.90 | TSHR (0.44) | VCAM1RAB9ANPC1TSHRKMT2A | |
| Hydrochloric Acid SCHEMBL3983490 | 0.88 | TSHR (0.42) | VCAM1RAB9ANPC1TSHRKMT2A | |
| SCHEMBL7465948 | 0.87 | VCAM1 (0.57) | VCAM1RAB9ANPC1TSHRPOLB | |
| Bicarbonate SCHEMBL27764750 | 0.86 | VCAM1 (0.56) | VCAM1RAB9ANPC1TSHRPOLB | |
| SCHEMBL7744994 | 0.84 | TSHR (0.44) | VCAM1RAB9ANPC1TSHRKMT2A | |
| SCHEMBL25317752 | 0.83 | ITGB1 (0.48) | VCAM1RAB9ANPC1TSHRKMT2A | |
| SCHEMBL27786546 | 0.81 | VCAM1 (0.50) | VCAM1RAB9ANPC1TSHRKMT2A | |
| SCHEMBL973982 | 0.77 | NPC1 (0.43) | VCAM1RAB9ANPC1TSHRPOLB | |
| SCHEMBL241760 | 0.77 | VCAM1 (0.45) | VCAM1RAB9ANPC1TSHRKMT2A | |
| SCHEMBL1790306 | 0.77 | TSHR (0.49) | VCAM1TSHRKMT2AMEN1CASP6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230227415-A1 | TRIAZINE BENZOATE COMPOUND AND APPLICATION THEREOF | SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) | 2023-07-20 | — | — | US | disclosed |
| EP-4169910-A1 | TRIAZINE BENZOATE COMPOUND AND APPLICATION THEREOF | Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) | 2023-04-26 | — | — | EP | 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-20230227415-A1 | TRIAZINE BENZOATE COMPOUND AND APPLICATION THEREOF | NOTUM, CYP3A5, DDT | VCAM1 4822/4885RAB9A 4690/4885NPC1 4292/4885 |
“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.