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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TPMT | P51580 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | RXRA | P19793 | 1/20 | 0.50 |
| ▸ | RXRB | P28702 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 3/20 | 0.48 |
| ▸ | CES1 | P23141 | 3/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28083787 | 0.89 | RXRA (0.62) | ALDH1A1SMN1; SMN2RXRARXRBPOLB | |
| Benzoic Acid SCHEMBL16113774 | 0.87 | DAO (0.50) | DAOTSHRNAPRTALDH1A1TPMT | |
| Benzoic Acid SCHEMBL28348484 | 0.85 | TSHR (0.70) | DAOTSHRNAPRTALDH1A1TPMT | |
| SCHEMBL377596 | 0.85 | KDM4E (0.55) | ALDH1A1TPMTSMN1; SMN2RXRARXRB | |
| SCHEMBL21870 | 0.85 | KDM4E (0.55) | ALDH1A1TPMTSMN1; SMN2RXRARXRB | |
| SCHEMBL50648 | 0.83 | KMT2A (0.56) | ALDH1A1SMN1; SMN2CES2CES1SRD5A2 | |
| SCHEMBL6917032 | 0.83 | KDM4E (0.53) | ALDH1A1TPMTSMN1; SMN2POLBKDM4E | |
| SCHEMBL6912557 | 0.83 | KDM4E (0.53) | ALDH1A1TPMTSMN1; SMN2POLBKDM4E | |
| SCHEMBL6915449 | 0.83 | KDM4E (0.53) | ALDH1A1TPMTSMN1; SMN2POLBKDM4E | |
| SCHEMBL6912704 | 0.83 | KDM4E (0.53) | ALDH1A1TPMTSMN1; SMN2POLBKDM4E |
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-2970184-A1 | COMPOUNDS AND USES THEREOF FOR THE MODULATON OF HEMOGLOBIN | Global Blood Therapeutics, Inc. (US) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014150261-A1 | COMPOUNDS AND USES THEREOF FOR THE MODULATON OF HEMOGLOBIN | GLOBAL BLOOD THERAPEUTICS, INC. (US) | 2014-09-25 | — | — | WO | disclosed |