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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.33 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1361410 | 0.94 | NSD2 (0.31) | — | |
| SCHEMBL1360673 | 0.77 | KMT2A (0.32) | KDM4C | |
| SCHEMBL1363413 | 0.76 | SLC6A4 (0.36) | SIGMAR1 | |
| SCHEMBL1363412 | 0.76 | SLC6A4 (0.36) | SIGMAR1 | |
| SCHEMBL4478902 | 0.71 | SLC6A4 (0.37) | SIGMAR1 | |
| SCHEMBL1360618 | 0.70 | BCL2 (0.41) | SIGMAR1 | |
| SCHEMBL5430929 | 0.70 | SLC6A4 (0.37) | SIGMAR1 | |
| SCHEMBL2344570 | 0.68 | PTGER1 (0.37) | MRGPRX4PTGER1 | |
| SCHEMBL5718374 | 0.68 | CXCR2 (0.34) | — | |
| SCHEMBL13987721 | 0.65 | SLC6A4 (0.40) | SIGMAR1 |
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-8067640-B2 | Method for the separation of intermediates which may be used for the preparation of escitalopram | H. LUNDBECK A/S (DK) | 2011-11-29 | — | — | US | disclosed |
| US-20110065937-A1 | METHOD FOR THE SEPARATION OF INTERMEDIATES WHICH MAY BE USED FOR THE PREPARATION OF ESCITALOPRAM | H. LUNDBECK A/S (DK) | 2011-03-17 | — | — | 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-20110065937-A1 | METHOD FOR THE SEPARATION OF INTERMEDIATES WHICH MAY BE USED FOR THE PREPARATION OF ESCITALOPRAM | MAOB, HSD17B14, MAOA | MRGPRX4 4634/4885PTGER1 1505/4885BCHE 567/4885 |
“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.