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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FASN | P49327 | 6/20 | 0.38 |
| ▸ | MAOA | P21397 | 5/20 | 0.34 |
| ▸ | KDM1A | O60341 | 4/20 | 0.34 |
| ▸ | MAOB | P27338 | 4/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.33 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20293628 | 0.87 | MME (0.34) | FASN | |
| SCHEMBL20293481 | 0.87 | MME (0.34) | FASN | |
| SCHEMBL20293502 | 0.83 | FASN (0.37) | FASNMAOAKDM1AMAOBTSHR | |
| SCHEMBL20293667 | 0.79 | TSHR (0.42) | TSHR | |
| SCHEMBL1503908 | 0.77 | MME (0.33) | FASN | |
| Citric Acid SCHEMBL20293589 | 0.75 | ALDH1A1 (0.36) | TSHR | |
| Oxalic Acid SCHEMBL4114848 | 0.74 | MME (0.32) | FASN | |
| Oxalic Acid SCHEMBL14908944 | 0.73 | DPP4 (0.32) | FASN | |
| SCHEMBL4688598 | 0.73 | F10 (0.64) | F10 | |
| SCHEMBL20328944 | 0.72 | MME (0.31) | — |
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-10301322-B2 | Processes for the preparation of edoxaban and intermediates thereof | APOTEX INC. (CA) | 2019-05-28 | — | — | US | disclosed |
| US-20180179226-A1 | Processes for the Preparation of Edoxaban and Intermediates Thereof | THE BANK OF NOVA SCOTIA (CA) | 2018-06-28 | — | — | 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 (2 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-10301322-B2 | Processes for the preparation of edoxaban and intermediates thereof | VKORC1, CYP2C9, VKORC1L1 | FASN 1917/4885MAOA 108/4885KDM1A 578/4885 |
| US-20180179226-A1 | Processes for the Preparation of Edoxaban and Intermediates Thereof | VKORC1, CYP2C9, VKORC1L1 | FASN 1917/4885MAOA 108/4885KDM1A 578/4885 |
“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.