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 | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
| ▸ | KMO | O15229 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL11313316 | 0.90 | AKR1C3 (0.46) | AKR1C3AKR1C1ALDH1A1GAAKDM4E | |
| SCHEMBL29557767 | 0.86 | SLC18A3 (0.45) | AKR1C3AKR1C1GAAKDM4ESIGMAR1 | |
| SCHEMBL28304250 | 0.86 | SLC18A3 (0.45) | AKR1C3AKR1C1GAAKDM4ESIGMAR1 | |
| SCHEMBL35975 | 0.86 | SLC18A3 (0.45) | AKR1C3AKR1C1GAAKDM4ESIGMAR1 | |
| Benzoic Acid SCHEMBL472157 | 0.78 | TSHR (0.48) | AKR1C3DAOTSHRNAPRTCES2 | |
| SCHEMBL10519427 | 0.74 | SLC18A3 (0.42) | SIGMAR1SLC18A3 | |
| Benzoic Acid SCHEMBL472128 | 0.74 | KDM4E (0.50) | AKR1C3DAOTSHRNAPRTCES2 | |
| SCHEMBL4357324 | 0.73 | RAB9A (0.43) | AKR1C3TSHRNAPRTALDH1A1GAA | |
| SCHEMBL11796662 | 0.73 | SLC18A3 (0.42) | TSHRALDH1A1SIGMAR1CYP2C9SLC18A3 | |
| SCHEMBL11796659 | 0.73 | SLC18A3 (0.42) | TSHRALDH1A1SIGMAR1CYP2C9SLC18A3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8664414-B2 | Process for producing epoxy compound | SHOWA DENKO K.K. (JP) | 2014-03-04 | — | — | US | disclosed |
| US-8466303-B2 | Process for production of epoxy compound | SHOWA DENKO K.K. (JP) | 2013-06-18 | — | — | US | disclosed |
| US-20120029217-A1 | PROCESS FOR PRODUCING EPOXY COMPOUND | SHOWA DENKO K.K. (JP) | 2012-02-02 | — | — | US | disclosed |
| EP-2412712-A1 | METHOD FOR PRODUCING EPOXY COMPOUND | Showa Denko K.K. (JP) | 2012-02-01 | — | — | EP | disclosed |
| US-20110009652-A1 | PROCESS FOR PRODUCTION OF EPOXY COMPOUND | SHOWA DENKO KK (JP) | 2011-01-13 | — | — | US | disclosed |
| EP-2261219-A1 | PROCESS FOR PRODUCTION OF EPOXY COMPOUND | Showa Denko K.K. (JP) | 2010-12-15 | — | — | 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 (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-20120029217-A1 | PROCESS FOR PRODUCING EPOXY COMPOUND | NOX4, NOX5, NOXO1 | AKR1C3 288/4885DAO 45/4885TSHR 4657/4885 |
| US-20110009652-A1 | PROCESS FOR PRODUCTION OF EPOXY COMPOUND | DUOX2, EPX, DUOX1 | AKR1C3 236/4885DAO 76/4885TSHR 4326/4885 |
“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.