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 | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL2901225 | 0.86 | CES2 (0.47) | CES2CES1KMT2AMEN1ALDH1A1 | |
| SCHEMBL2901221 | 0.86 | CES2 (0.47) | CES2CES1KMT2AMEN1ALDH1A1 | |
| SCHEMBL1421463 | 0.81 | EP300 (0.37) | KMT2AMEN1ALDH1A1LMNASMN1; SMN2 | |
| Benzoic Acid SCHEMBL28067818 | 0.80 | TSHR (0.54) | DAOTSHRNAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL27911468 | 0.80 | TSHR (0.54) | DAOTSHRNAPRTCES2CES1 | |
| SCHEMBL30747063 | 0.79 | AKR1C1 (0.48) | TSHRCES2CES1KMT2AMEN1 | |
| Benzoic Acid SCHEMBL4217226 | 0.79 | DAO (0.52) | DAOTSHRNAPRTCES2CES1 | |
| SCHEMBL18812994 | 0.79 | AKR1C1 (0.48) | TSHRCES2CES1KMT2AMEN1 | |
| SCHEMBL10359660 | 0.78 | CES2 (0.50) | CES2CES1KMT2AMEN1ALDH1A1 | |
| SCHEMBL11804612 | 0.78 | CES2 (0.50) | CES2CES1KMT2AMEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105622800-A | Catalyst component for olefin polymerization, and catalyst system thereof | CHINA PETROLEUM & CHEM CORP | 2016-06-01 | — | — | CN | disclosed |