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 | 12/20 | 0.89 |
| ▸ | CA4 | P22748 | 2/20 | 0.89 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | PARP1 | P09874 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | RECQL | P46063 | 1/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.57 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 3/20 | 0.55 |
| ▸ | CES2 | O00748 | 2/20 | 0.55 |
| ▸ | DAO | P14920 | 1/20 | 0.55 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 11/20 | 0.52 |
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 SCHEMBL11789341 | 0.97 | CA2 (0.94) | CA2CA4TSHRCYP3A4MAPT | |
| Benzoic Acid SCHEMBL11740323 | 0.95 | CA2 (0.80) | CA2CA4TSHRCYP3A4MAPT | |
| Benzoic Acid SCHEMBL1798863 | 0.94 | CA2 (0.89) | CA2CA4TSHRCYP3A4MAPT | |
| Benzoic Acid SCHEMBL1445056 | 0.94 | CA2 (0.89) | CA2CA4TSHRCYP3A4MAPT | |
| Benzoic Acid SCHEMBL4525348 | 0.94 | CA2 (0.89) | CA2CA4TSHRCYP3A4MAPT | |
| Benzoic Acid SCHEMBL29624 | 0.94 | CA2 (0.89) | CA2CA4TSHRCYP3A4MAPT | |
| Benzoic Acid SCHEMBL12476955 | 0.94 | CA2 (0.89) | CA2CA4TSHRCYP3A4MAPT | |
| Benzoic Acid SCHEMBL20570232 | 0.94 | CA2 (0.89) | CA2CA4TSHRCYP3A4MAPT | |
| Benzoic Acid SCHEMBL20570059 | 0.94 | CA2 (0.89) | CA2CA4TSHRCYP3A4MAPT | |
| Benzoic Acid SCHEMBL394354 | 0.94 | CA2 (0.89) | CA2CA4TSHRCYP3A4MAPT |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5135901-A | A catalyst composition comprising rhodium, ruthenium,and a promoter | EASTMAN CHEMICAL COMPANY (US) | 1992-08-04 | — | — | US | claimed |
| US-5043480-A | Difunctional products from ethylene oxide and synthesis gas | EASTMAN KODAK COMPANY (US) | 1991-08-27 | — | — | US | claimed |
| US-4973741-A | RHODIUM-RUTHENIUM CATALYST, GROUP 5A PROMOTER, CARBONYLATION, HYDROFORMYLATION | EASTMAN KODAK COMPANY (US) | 1990-11-27 | — | — | US | claimed |
| EP-0682650-B1 | PROCESS FOR MAKING 1,3-DIOLS AND 3-HYDROXYALDEHYDES | SHELL INT RESEARCH (NL) | 1998-05-20 | — | — | EP | disclosed |
| EP-0682650-A1 | PROCESS FOR MAKING 1,3-DIOLS AND 3-HYDROXYALDEHYDES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1995-11-22 | — | — | EP | disclosed |
| WO-1994018149-A1 | PROCESS FOR MAKING 1,3-DIOLS AND 3-HYDROXYALDEHYDES | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1994-08-18 | — | — | WO | disclosed |
| US-5304691-A | Hydroformylation og ethylene oxide | SHELL OIL COMPANY (US) | 1994-04-19 | — | — | US | disclosed |
| US-5135901-A | A catalyst composition comprising rhodium, ruthenium,and a promoter | EASTMAN CHEMICAL COMPANY (US) | 1992-08-04 | — | — | US | disclosed |
| US-5043480-A | Difunctional products from ethylene oxide and synthesis gas | EASTMAN KODAK COMPANY (US) | 1991-08-27 | — | — | US | disclosed |
| US-4973741-A | RHODIUM-RUTHENIUM CATALYST, GROUP 5A PROMOTER, CARBONYLATION, HYDROFORMYLATION | EASTMAN KODAK COMPANY (US) | 1990-11-27 | — | — | US | disclosed |
| US-4434246-A | Process for preparing ethylene glycol and lower monohydric alcohols from syngas using a novel catalyst system | TEXACO INC. (US) | 1984-02-28 | — | — | US | disclosed |