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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.61 |
| ▸ | CES1 | P23141 | 4/20 | 0.61 |
| ▸ | TSHR | P16473 | 5/20 | 0.56 |
| ▸ | DAO | P14920 | 1/20 | 0.56 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.56 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.55 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.55 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.55 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.55 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.55 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | PPARG | P37231 | 6/20 | 0.50 |
| ▸ | PPARD | Q03181 | 6/20 | 0.50 |
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 SCHEMBL10947409 | 0.94 | CES2 (0.62) | CES2CES1TSHRDAONAPRT | |
| Heptanoate SCHEMBL5788520 | 0.92 | CES2 (0.64) | CES2CES1TSHRHDAC11HDAC3 | |
| Decanoic Acid SCHEMBL10943211 | 0.92 | CES2 (0.64) | CES2CES1TSHRHDAC11HDAC3 | |
| Palmitic Acid SCHEMBL28142160 | 0.92 | CES2 (0.64) | CES2CES1TSHRHDAC11HDAC3 | |
| Octanoic Acid SCHEMBL6051069 | 0.92 | CES2 (0.64) | CES2CES1TSHRHDAC11HDAC3 | |
| Stearic Acid SCHEMBL23588 | 0.92 | CES2 (0.64) | CES2CES1TSHRHDAC11HDAC3 | |
| Undecanoate SCHEMBL28229896 | 0.92 | CES2 (0.64) | CES2CES1TSHRHDAC11HDAC3 | |
| Stearic Acid SCHEMBL5271197 | 0.91 | CES2 (0.62) | CES2CES1TSHRHDAC11HDAC3 | |
| Behenic Acid SCHEMBL8991157 | 0.91 | CES2 (0.62) | CES2CES1TSHRHDAC11HDAC3 | |
| Stearic Acid SCHEMBL11515603 | 0.91 | CES2 (0.62) | CES2CES1TSHRHDAC11HDAC3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1100479-B1 | MEDICINAL PRODUCTS WITH RETARDED PHARMACOLOGICAL ACTIVITY AND METHOD FOR THE PRODUCTION THEREOF | SCHIERHOLZ JOERG DR DR (DE) | 2006-01-11 | — | — | EP | claimed |
| US-4124707-A | 7α-Halogeno-3,20-dioxo-1,4-pregnadienes, methods for their manufacture, their use as anti-inflammatory agents, and pharmaceutical formulations useful therefor | SCHERING CORPORATION (US) | 1978-11-07 | — | — | US | disclosed |