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 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | RXRG | P48443 | 1/20 | 0.36 |
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 SCHEMBL27573796 | 0.84 | DAO (0.44) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL226249 | 0.84 | TSHR (0.61) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL204568 | 0.84 | TSHR (0.61) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL4577209 | 0.83 | TSHR (0.50) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL28703476 | 0.83 | TSHR (0.50) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL28701822 | 0.81 | DAO (0.48) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL28698367 | 0.80 | DAO (0.47) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL1255194 | 0.80 | TSHR (0.61) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL4188267 | 0.80 | TSHR (0.61) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL4326067 | 0.80 | TSHR (0.61) | TSHRDAONAPRTSRD5A2CES2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1478617-A4 | POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF | CHINA PETROLEUM & CHEMICAL (CN) | 2006-04-19 | — | — | EP | disclosed |
| EP-1478617-A1 | POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF | China Petroleum & Chemical Corporation (CN) | 2004-11-24 | — | — | EP | disclosed |
| WO-2003068723-A1 | POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF | CHINA PETROLEUM & CHEMICAL CORPORATION (CN) | 2003-08-21 | — | — | WO | disclosed |