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 | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.47 |
| ▸ | RXRB | P28702 | 1/20 | 0.47 |
| ▸ | RXRG | P48443 | 1/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.37 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | AURKA | O14965 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 SCHEMBL27864631 | 0.78 | DAO (0.44) | RXRARXRBRXRGDAOTSHR | |
| Benzoic Acid SCHEMBL27864634 | 0.76 | AKR1C3 (0.45) | RXRARXRBRXRGTSHRMAPT | |
| Benzoic Acid SCHEMBL1785124 | 0.75 | TSHR (0.52) | DAOTSHRNAPRTTTRMAPT | |
| SCHEMBL27051509 | 0.73 | APP (0.41) | RXRARXRBRXRGAURKAKDM4E | |
| SCHEMBL11906751 | 0.72 | HSD17B10 (0.48) | KCNK3KCNK9MAPTLMNASMN1; SMN2 | |
| Benzoic Acid SCHEMBL6463794 | 0.72 | TSHR (0.64) | DAOTSHRNAPRTHTTMAPT | |
| Benzoic Acid SCHEMBL7184961 | 0.71 | HTT (0.53) | RXRADAOTSHRNAPRTTTR | |
| SCHEMBL3648979 | 0.70 | HTT (0.61) | RXRARXRBRXRGTSHRTTR | |
| SCHEMBL7362973 | 0.70 | TTR (0.56) | RXRARXRBRXRGTSHRTTR | |
| SCHEMBL30050310 | 0.69 | KCNK3 (0.46) | RXRARXRBRXRGTSHRNAPRT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105622496-B | Tetracycline compound | 四相制药公司 | 2019-03-05 | — | — | CN | disclosed |
| CN-105622496-A | Tetracycline compounds | TETRAPHASE PHARMACEUTICALS INC | 2016-06-01 | — | — | CN | disclosed |
| CN-102596898-B | tetracycline compound | TETRAPHASE PHARMACEUTICALS, INC. (US) | 2016-01-27 | — | — | CN | disclosed |
| CN-102596898-A | Tetracycline compound | TETRAPHASE PHARMACEUTICALS INC | 2012-07-18 | — | — | CN | disclosed |