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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.70 |
| ▸ | DAO | P14920 | 1/20 | 0.70 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.70 |
| ▸ | CES2 | O00748 | 3/20 | 0.58 |
| ▸ | CES1 | P23141 | 3/20 | 0.58 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL9022961 | 0.85 | TSHR (0.56) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL3966600 | 0.84 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL1095403 | 0.84 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL9751726 | 0.84 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL7719037 | 0.84 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL976149 | 0.84 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL407365 | 0.84 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL149318 | 0.84 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL137419 | 0.84 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL975929 | 0.84 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9914816-B2 | Methods and materials for depolymerizing polyesters | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2018-03-13 | — | — | US | disclosed |
| US-20160060419-A1 | METHODS AND MATERIALS FOR DEPOLYMERIZING POLYESTERS | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2016-03-03 | — | — | US | disclosed |
| US-9255194-B2 | Methods and materials for depolymerizing polyesters | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2016-02-09 | — | — | US | disclosed |
| WO-2015056377-A1 | METHODS AND MATERIALS FOR DEPOLYMERIZING POLYESTERS | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2015-04-23 | — | — | WO | disclosed |
| US-20150105532-A1 | METHODS AND MATERIALS FOR DEPOLYMERIZING POLYESTERS | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2015-04-16 | — | — | 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-20150105532-A1 | METHODS AND MATERIALS FOR DEPOLYMERIZING POLYESTERS | TKT, DERA, KHK | TSHR 4044/4885DAO 1065/4885NAPRT 1140/4885 |
“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.