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 | 2/20 | 0.45 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | RARB | P10826 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 SCHEMBL11319462 | 0.93 | TSHR (0.52) | TSHRDAONAPRTALDH1A1SMN1; SMN2 | |
| Triethylene Glycol SCHEMBL17797852 | 0.90 | TSHR (0.52) | TSHRDAONAPRTALDH1A1SMN1; SMN2 | |
| Terephthalic Acid SCHEMBL28359862 | 0.88 | HSD17B10 (0.43) | TSHRALDH1A1SMN1; SMN2GAAPKM | |
| Benzoic Acid SCHEMBL3956351 | 0.88 | TSHR (0.54) | TSHRDAONAPRTALDH1A1SMN1; SMN2 | |
| Benzoic Acid SCHEMBL11315587 | 0.88 | TSHR (0.58) | TSHRDAONAPRTALDH1A1LMNA | |
| Triethylene Glycol SCHEMBL2442859 | 0.88 | TSHR (0.58) | TSHRDAONAPRTALDH1A1SMN1; SMN2 | |
| Tetraethylene Glycol SCHEMBL9137599 | 0.88 | TSHR (0.58) | TSHRDAONAPRTALDH1A1SMN1; SMN2 | |
| Triethylene Glycol SCHEMBL205789 | 0.88 | TSHR (0.58) | TSHRDAONAPRTALDH1A1SMN1; SMN2 | |
| Triethylene Glycol SCHEMBL5730892 | 0.88 | TSHR (0.58) | TSHRDAONAPRTALDH1A1SMN1; SMN2 | |
| Triethylene Glycol SCHEMBL2112665 | 0.88 | TSHR (0.58) | TSHRDAONAPRTALDH1A1SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8207253-B2 | Mixed aryl/alkyl diester compositions | EASTMAN SPECIALTIES HOLDINGS CORPORATION (US) | 2012-06-26 | — | — | US | disclosed |
| US-20090075106-A1 | Mixed Aryl/Alkyl Diester Compositions | VELSICOL CHEMICAL CORPORATION (US) | 2009-03-19 | — | — | US | disclosed |
| WO-2009036171-A1 | MIXED ARYL/ ALKYL DIESTER COMPOSITIONS | GENOVIQUE SPECIALTIES HOLDINGS CORPORATION (US) | 2009-03-19 | — | — | WO | disclosed |