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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.55 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 7/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Benzophenone SCHEMBL28959408 | 0.83 | ALDH1A1 (0.56) | MEN1KMT2ALMNAALDH1A1NPC1 | |
| Benzoic Acid SCHEMBL14918555 | 0.83 | NAPRT (0.56) | MEN1KMT2AF2LMNACES2 | |
| Isophthalic Acid SCHEMBL15572221 | 0.83 | CA2 (0.38) | CA2CA4P4HTMCA1 | |
| Isophthalic Acid SCHEMBL15571325 | 0.83 | CA2 (0.38) | CA2CA4P4HTMCA1 | |
| Pyrazole SCHEMBL27939408 | 0.81 | KMT2A (0.40) | CA2CA4MEN1KMT2AF2 | |
| Isophthalic Acid SCHEMBL15572077 | 0.81 | CD74 (0.42) | CA2CA4CA1 | |
| Isophthalic Acid SCHEMBL15572680 | 0.81 | CD74 (0.42) | CA2CA4CA1 | |
| Benzamide SCHEMBL5106831 | 0.80 | POLB (0.59) | MEN1KMT2AF2LMNATSHR | |
| Benzamide SCHEMBL29283553 | 0.80 | POLB (0.59) | MEN1KMT2AF2LMNATSHR | |
| Benzoyl Chloride SCHEMBL28009155 | 0.80 | KMT2A (0.38) | CA2CA4MEN1KMT2AF2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102775430-B | Coordination polymer porous material MAF-X8 and preparing method and application thereof | UNIV SUN YAT SEN | 2015-06-24 | — | — | CN | disclosed |
| CN-102775430-A | Coordination polymer porous material MAF-X8 and preparing method and application thereof | UNIV SUN YAT SEN | 2012-11-14 | — | — | CN | disclosed |