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 | 5/20 | 0.64 |
| ▸ | DAO | P14920 | 1/20 | 0.64 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | F2 | P00734 | 1/20 | 0.56 |
| ▸ | CES2 | O00748 | 2/20 | 0.54 |
| ▸ | CES1 | P23141 | 2/20 | 0.54 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL1013454 | 0.93 | LMNA (0.64) | TSHRDAONAPRTLMNAF2 | |
| Ammonia Solution, Strong SCHEMBL29023700 | 0.91 | LMNA (0.61) | TSHRDAONAPRTLMNAF2 | |
| SCHEMBL5072455 | 0.91 | LMNA (0.61) | TSHRDAONAPRTLMNAF2 | |
| SCHEMBL27236437 | 0.91 | LMNA (0.61) | TSHRDAONAPRTLMNAF2 | |
| Hydrochloric Acid SCHEMBL28183781 | 0.91 | LMNA (0.61) | TSHRDAONAPRTLMNAF2 | |
| SCHEMBL28418175 | 0.91 | LMNA (0.61) | TSHRDAONAPRTLMNAF2 | |
| SCHEMBL819291 | 0.91 | TSHR (0.60) | TSHRDAONAPRTCES2CES1 | |
| SCHEMBL29121515 | 0.91 | LMNA (0.61) | TSHRDAONAPRTLMNAF2 | |
| SCHEMBL8746935 | 0.91 | LMNA (0.61) | TSHRDAONAPRTLMNAF2 | |
| SCHEMBL27942254 | 0.91 | LMNA (0.61) | TSHRDAONAPRTLMNAF2 |
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-106608913-A | 1,2,3-tricarballylic acid coupled EPO peptoid derivative and preparation method and application thereof | 天津药物研究院有限公司 | 2017-05-03 | — | — | CN | disclosed |
| CN-106554394-A | A kind of Erythropoietin mimetic peptide and its preparation method and application | 天津药物研究院有限公司 | 2017-04-05 | — | — | CN | disclosed |
| CN-104053439-B | Meglumine salt formulations of 1- (5, 6-dichloro-1H-benzo [ D ] imidazol-2-yl) -1H-pyrazole-4-carboxylic acid | 詹森药业有限公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-102884062-B | Aminopyrimidine inhibitors of kinases | 嘉世高制药公司 | 2016-08-03 | — | — | CN | disclosed |