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 | 0.52 |
| ▸ | DAO | P14920 | 1/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.43 |
| ▸ | RARB | P10826 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 SCHEMBL11315587 | 0.94 | TSHR (0.58) | TSHRDAONAPRTALDH1A1LMNA | |
| Benzoic Acid SCHEMBL3952132 | 0.93 | TSHR (0.45) | TSHRDAONAPRTALDH1A1SMN1; SMN2 | |
| Benzoic Acid SCHEMBL11319705 | 0.87 | TSHR (0.53) | TSHRDAONAPRTALDH1A1LMNA | |
| SCHEMBL17797844 | 0.87 | LMNA (0.62) | TSHRALDH1A1SMN1; SMN2LMNAPKM | |
| SCHEMBL3956345 | 0.87 | LMNA (0.62) | TSHRALDH1A1SMN1; SMN2LMNAPKM | |
| SCHEMBL12126238 | 0.87 | LMNA (0.62) | TSHRALDH1A1SMN1; SMN2LMNAPKM | |
| Benzoic Acid SCHEMBL28661767 | 0.85 | LMNA (0.65) | TSHRDAONAPRTALDH1A1SMN1; SMN2 | |
| SCHEMBL3996876 | 0.84 | CES2 (0.46) | TSHRALDH1A1SMN1; SMN2LMNACES2 | |
| Terephthalic Acid SCHEMBL27352565 | 0.84 | TSHR (0.68) | TSHRALDH1A1KMT2ARARB | |
| SCHEMBL22525345 | 0.83 | RARB (0.64) | TSHRALDH1A1PKMTDP1RARB |
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 |
|---|---|---|---|---|---|---|---|
| US-4292142-A | MIXTURE OF PHTHALIC ANHYDRIDE AND MALEIC ANHYDRIDE | INTERNATIONAL SYNTHETIC RUBBER CO., LTD. (GB) | 1981-09-29 | — | — | US | disclosed |