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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 11/20 | 0.84 |
| ▸ | CA4 | P22748 | 2/20 | 0.84 |
| ▸ | CES1 | P23141 | 3/20 | 0.52 |
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | DAO | P14920 | 1/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 10/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
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 SCHEMBL186964 | 0.97 | CA2 (0.89) | CA2CA4CES1CES2TSHR | |
| Benzoic Acid SCHEMBL28481704 | 0.94 | CA2 (0.84) | CA2CA4CES1CES2TSHR | |
| Benzoic Acid SCHEMBL29027326 | 0.94 | CA2 (0.94) | CA2CA4CES1CES2TSHR | |
| Benzoic Acid SCHEMBL28569088 | 0.94 | CA2 (0.84) | CA2CA4CES1CES2TSHR | |
| Benzoic Acid SCHEMBL21633524 | 0.94 | CA2 (0.84) | CA2CA4CES1CES2TSHR | |
| Benzoic Acid SCHEMBL841158 | 0.94 | CA2 (0.84) | CA2CA4CES1CES2TSHR | |
| Benzoic Acid SCHEMBL8671976 | 0.94 | CA2 (0.84) | CA2CA4CES1CES2TSHR | |
| Benzoic Acid SCHEMBL11864285 | 0.94 | CA2 (0.84) | CA2CA4CES1CES2TSHR | |
| Benzoic Acid SCHEMBL11599605 | 0.94 | CA2 (0.84) | CA2CA4CES1CES2TSHR | |
| Benzoic Acid SCHEMBL6575002 | 0.94 | CA2 (0.84) | CA2CA4CES1CES2TSHR |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0072129-B2 | SUPPORTED TRANSITION METAL COMPOSITION | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-02-28 | — | — | EP | disclosed |
| EP-0085231-B1 | CATALYST COMPOSITION, PRODUCTION AND USE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-11-12 | — | — | EP | disclosed |
| EP-0072129-B1 | SUPPORTED TRANSITION METAL COMPOSITION | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-06-04 | — | — | EP | disclosed |
| EP-0072128-B1 | SPRAYING SOLID | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-03-19 | — | — | EP | disclosed |
| US-4533707-A | POLYMERIZATION WITH COORDINATION CATALYST | IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) | 1985-08-06 | — | — | US | disclosed |
| US-4469855-A | FLUIDIZED CATALYST | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-09-04 | — | — | US | disclosed |
| US-4465782-A | Supported transition metal composition | Imperial Chemistry Industries PLC (GB) | 1984-08-14 | — | — | US | disclosed |
| US-4465783-A | REDUCTION IN PARTICLE SIZE, THEN SPRAY DRYING OF TRANSITION METAL COMPOUND IN (HAL-)HYDROCARBON | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-08-14 | — | — | US | disclosed |
| US-4465785-A | COORDINATION CATALYST FOR POLYMERIZATION | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-08-14 | — | — | US | disclosed |
| EP-0095848-A2 | Ethylene copolymerisation process | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-12-07 | — | — | EP | disclosed |
| EP-0085231-A1 | Catalyst composition, production and use | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-08-10 | — | — | EP | disclosed |
| EP-0072129-A2 | Supported transition metal composition | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-02-16 | — | — | EP | disclosed |
| EP-0072128-A2 | Spraying solid | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-02-16 | — | — | EP | disclosed |