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 | 5/20 | 0.67 |
| ▸ | DAO | P14920 | 1/20 | 0.67 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.67 |
| ▸ | F2 | P00734 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | CES2 | O00748 | 2/20 | 0.56 |
| ▸ | CES1 | P23141 | 2/20 | 0.56 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 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 |
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 SCHEMBL11118006 | 0.98 | TSHR (0.64) | TSHRDAONAPRTF2LMNA | |
| Hydrogen Peroxide SCHEMBL2929887 | 0.93 | LMNA (0.67) | TSHRDAONAPRTF2LMNA | |
| SCHEMBL27265493 | 0.93 | LMNA (0.67) | TSHRDAONAPRTF2LMNA | |
| Hydrogen Peroxide SCHEMBL11489043 | 0.93 | LMNA (0.67) | TSHRDAONAPRTF2LMNA | |
| SCHEMBL1816 | 0.93 | LMNA (0.67) | TSHRDAONAPRTF2LMNA | |
| Benzene SCHEMBL10686034 | 0.93 | LMNA (0.67) | TSHRDAONAPRTF2LMNA | |
| Ammonia Solution, Strong SCHEMBL3267856 | 0.90 | LMNA (0.64) | TSHRDAONAPRTF2LMNA | |
| SCHEMBL11419250 | 0.90 | LMNA (0.64) | TSHRDAONAPRTF2LMNA | |
| SCHEMBL10790937 | 0.90 | LMNA (0.64) | TSHRDAONAPRTF2LMNA | |
| Bicarbonate SCHEMBL11437103 | 0.90 | LMNA (0.64) | TSHRDAONAPRTF2LMNA |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3814394-B1 | IMPROVED REACTIVE POLYURETHANE SYSTEMS | EMERALD KALAMA CHEMICAL LLC (US) | 2023-06-14 | — | — | EP | claimed |
| EP-3814394-A1 | IMPROVED REACTIVE POLYURETHANE SYSTEMS | Emerald Kalama Chemical, LLC (US) | 2021-05-05 | — | — | EP | claimed |
| CN-112513116-A | Improved reactive polyurethane system | 艾默罗德卡拉玛化学品公司 | 2021-03-16 | — | — | CN | claimed |
| CN-104042811-B | Externally applied compound medicament for treating catabasis of bronchial asthma, preparation method and application thereof | 江苏省中医院 | 2017-05-03 | — | — | CN | claimed |
| EP-3814394-B1 | IMPROVED REACTIVE POLYURETHANE SYSTEMS | EMERALD KALAMA CHEMICAL LLC (US) | 2023-06-14 | — | — | EP | disclosed |
| CN-112513116-B | Improved reactive polyurethane system | 艾默罗德卡拉玛化学品公司 | 2022-11-04 | — | — | CN | disclosed |
| EP-3814394-A1 | IMPROVED REACTIVE POLYURETHANE SYSTEMS | Emerald Kalama Chemical, LLC (US) | 2021-05-05 | — | — | EP | disclosed |
| CN-112513116-A | Improved reactive polyurethane system | 艾默罗德卡拉玛化学品公司 | 2021-03-16 | — | — | CN | disclosed |
| US-5451654-A | Addition polymerization catalyst | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1995-09-19 | — | — | US | disclosed |
| US-5387654-A | Hydroxy-peroxides and their uses | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1995-02-07 | — | — | US | disclosed |
| EP-0381135-B1 | Novel hydroxy-peroxides and their uses | ATOCHEM NORTH AMERICA (US) | 1994-06-01 | — | — | EP | disclosed |
| US-5304649-A | Curing agent for unsaturated polyesters | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1994-04-19 | — | — | US | disclosed |
| EP-0381135-A2 | Novel hydroxy-peroxides and their uses | ATOCHEM NORTH AMERICA, INC. (US) | 1990-08-08 | — | — | EP | disclosed |
| EP-0089889-B1 | SEALANT COMPOSITION COMPRISING A FIBRILLATED FIBER AND A PARTICULATE MATERIAL FOR AUTOMOBILE COOLING SYSTEM | First Brands Corporation (US) | 1987-12-02 | — | — | EP | disclosed |
| EP-0089889-A2 | Sealant composition comprising a fibrillated fiber and a particulate material for automobile cooling system | First Brands Corporation (US) | 1983-09-28 | — | — | EP | disclosed |