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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.69 |
| ▸ | NPC1 | O15118 | 1/20 | 0.69 |
| ▸ | RAB9A | P51151 | 1/20 | 0.69 |
| ▸ | DAO | P14920 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CA12 | O43570 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 2/20 | 0.59 |
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | CA6 | P23280 | 2/20 | 0.59 |
| ▸ | CA9 | Q16790 | 2/20 | 0.59 |
| ▸ | CLK1 | P49759 | 2/20 | 0.58 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.58 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.58 |
| ▸ | CA3 | P07451 | 1/20 | 0.56 |
| ▸ | TYR | P14679 | 1/20 | 0.56 |
| ▸ | DRD1 | P21728 | 1/20 | 0.56 |
| ▸ | CA4 | P22748 | 1/20 | 0.56 |
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 SCHEMBL28279950 | 1.00 | MEN1 (0.69) | MEN1KMT2ANPC1RAB9ADAO | |
| Betanaphthol SCHEMBL28668259 | 0.96 | CYP1A2 (0.68) | MEN1KMT2ANPC1RAB9ADAO | |
| Betanaphthol SCHEMBL8080217 | 0.88 | CYP1A2 (0.68) | MEN1KMT2ANPC1RAB9ACYP1A2 | |
| Terephthalic Acid SCHEMBL6052891 | 0.87 | MEN1 (0.63) | MEN1KMT2ANPC1RAB9ATSHR | |
| Beta-Naphtoic Acid SCHEMBL28760957 | 0.86 | MEN1 (0.68) | MEN1KMT2ANPC1RAB9ACYP1A2 | |
| Beta-Naphtoic Acid SCHEMBL27544270 | 0.86 | MEN1 (0.68) | MEN1KMT2ANPC1RAB9ACYP1A2 | |
| SCHEMBL8461210 | 0.85 | CA12 (0.60) | MEN1KMT2ANPC1RAB9ACA12 | |
| Paraben SCHEMBL7261815 | 0.85 | CA12 (0.67) | MEN1KMT2ANPC1RAB9ATSHR | |
| Betanaphthol SCHEMBL27936026 | 0.85 | CYP1A2 (0.53) | MEN1KMT2ANPC1RAB9ADAO | |
| SCHEMBL29357264 | 0.84 | MEN1 (0.66) | MEN1KMT2ANPC1RAB9ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| JP-11193295-A | — | — | None | — | — | JP | disclosed |
| JP-H11193295-A | BETA-D-XYLOPYRANOSIDE-BASED COMPOUND | SEIKAGAKU KOGYO CO LTD | 1999-07-21 | — | — | JP | disclosed |