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 | 0.58 |
| ▸ | DAO | P14920 | 1/20 | 0.58 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.58 |
| ▸ | CES1 | P23141 | 5/20 | 0.50 |
| ▸ | CES2 | O00748 | 4/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | AKT1 | P31749 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 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 SCHEMBL1434863 | 0.91 | TSHR (0.70) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL9644655 | 0.91 | TSHR (0.70) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL4158962 | 0.91 | TSHR (0.70) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL11340972 | 0.89 | TSHR (0.67) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL21145058 | 0.89 | TSHR (0.67) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL207614 | 0.87 | TSHR (0.78) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL9347407 | 0.87 | TSHR (0.78) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL1254290 | 0.87 | TSHR (0.78) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL2779805 | 0.87 | TSHR (0.78) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL27410268 | 0.87 | TSHR (0.78) | TSHRDAONAPRTCES1CES2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103687732-B9 | Mixtures of dibenzoate plasticizers | 艾德罗德卡拉玛化学公司 | 2017-04-19 | — | — | CN | disclosed |
| CN-103687732-B | Blends of dibenzoate plasticizers | 艾德罗德卡拉玛化学公司 | 2017-02-15 | — | — | CN | disclosed |
| EP-1420043-B1 | Additive for polyester base synthetic resin containing plasticizer and plasticizer for biodegradable resin | KAO CORP (JP) | 2010-09-08 | — | — | EP | disclosed |
| US-7576152-B2 | Additive for polyester base synthetic resin containing plasticizer and plasticizer for biodegradable resin | KAO CORPORATION (JP) | 2009-08-18 | — | — | US | disclosed |
| US-20040152810-A1 | Additive for polyester base synthetic resin containing plasticizer and plasticizer for biodegradable resin | KAO CORPORATION (JP) | 2004-08-05 | — | — | US | disclosed |
| EP-1420043-A2 | Additive for polyester base synthetic resin containing plasticizer and plasticizer for biodegradable resin | Kao Corporation (JP) | 2004-05-19 | — | — | EP | disclosed |