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 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 SCHEMBL5720605 | 0.84 | TSHR (0.64) | DAOTSHRNAPRTCA12CA1 | |
| SCHEMBL629655 | 0.82 | GSK3A (0.52) | POLBKDM4EGSK3AGSK3BCCR6 | |
| Acetic Acid SCHEMBL28849017 | 0.81 | GSK3A (0.42) | CA12CA1CA9GSK3AGSK3B | |
| Isophthalic Acid SCHEMBL17473833 | 0.78 | ALDH1A1 (0.54) | CA12CA1CA9ALDH1A1L3MBTL1 | |
| SCHEMBL660306 | 0.75 | MGLL (0.46) | TSHRKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL16694538 | 0.75 | GSK3A (0.48) | DAOKMT2AGSK3AGSK3BCCR6 | |
| SCHEMBL1018679 | 0.74 | MCL1 (0.39) | ALDH1A1L3MBTL1KMT2APOLBMEN1 | |
| SCHEMBL27943834 | 0.74 | MCL1 (0.39) | ALDH1A1L3MBTL1KMT2APOLBMEN1 | |
| Phthalic Acid SCHEMBL5212886 | 0.73 | ALDH1A1 (0.58) | NAPRTCA12CA1CA9ALDH1A1 | |
| Benzophenone SCHEMBL1832564 | 0.73 | ALDH1A1 (0.64) | DAOTSHRNAPRTCES2CES1 |
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-87103784-A | IMMUNOPOTATION | — | 1987-12-09 | — | — | CN | disclosed |