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 | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | RARB | P10826 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 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 SCHEMBL4276854 | 1.00 | HDAC3 (0.50) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Benzoic Acid SCHEMBL10479112 | 0.93 | HDAC3 (0.56) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Benzoic Acid SCHEMBL247596 | 0.85 | TSHR (0.64) | TSHRDAONAPRTRARBMAPK1 | |
| Benzene SCHEMBL28183613 | 0.84 | KDM4C (0.48) | TSHRALDH1A1CYP1A2LMNA | |
| Benzoic Acid SCHEMBL28402492 | 0.84 | RARB (0.49) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Adipic Acid SCHEMBL11024842 | 0.82 | HDAC3 (0.69) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Glutarate SCHEMBL7758803 | 0.82 | TSHR (0.67) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Adipic Acid SCHEMBL7202698 | 0.82 | HDAC3 (0.69) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Benzoic Acid SCHEMBL29186010 | 0.82 | RARB (0.53) | TSHRDAONAPRTRARBMAPK1 | |
| Benzoic Acid SCHEMBL27884640 | 0.82 | RARB (0.53) | TSHRDAONAPRTRARBMAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009118261-A1 | POLYOL ESTER PLASTICIZERS AND PROCESS OF MAKING THE SAME | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2009-10-01 | — | — | WO | disclosed |