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 | 3/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 3/20 | 0.53 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | KDM6B | O15054 | 1/20 | 0.51 |
| ▸ | KDM5C | P41229 | 1/20 | 0.51 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.51 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.51 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.51 |
| ▸ | PLAU | P00749 | 1/20 | 0.49 |
| ▸ | PLAT | P00750 | 1/20 | 0.49 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | DHODH | Q02127 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6985723 | 0.95 | KDM4E (0.57) | TSHRRAB9APARP1LOXL2ALDH1A1 | |
| SCHEMBL2490695 | 0.91 | PARP1 (0.61) | TSHRRAB9APARP1LOXL2ALDH1A1 | |
| SCHEMBL29864637 | 0.91 | PARP1 (0.61) | TSHRRAB9APARP1LOXL2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL29016784 | 0.90 | PARP1 (0.59) | TSHRRAB9APARP1LOXL2ALDH1A1 | |
| Terephthalic Acid SCHEMBL27796382 | 0.88 | TSHR (0.63) | TSHRRAB9ALOXL2ALDH1A1KDM4E | |
| Terephthalic Acid SCHEMBL27517516 | 0.88 | TSHR (0.63) | TSHRRAB9ALOXL2ALDH1A1KDM4E | |
| Methylamine SCHEMBL28086442 | 0.86 | KDM4E (0.62) | TSHRRAB9ALOXL2ALDH1A1KDM4E | |
| SCHEMBL30262601 | 0.86 | KDM4E (0.66) | TSHRRAB9ALOXL2ALDH1A1KDM4E | |
| SCHEMBL39797 | 0.86 | KDM4E (0.66) | TSHRRAB9ALOXL2ALDH1A1KDM4E | |
| Isophthalic Acid SCHEMBL5551894 | 0.86 | KDM4E (0.66) | TSHRRAB9ALOXL2ALDH1A1KDM4E |
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-117024416-A | Hemicyanine compound and pharmaceutical composition, preparation method and application thereof | 中国药科大学 | 2023-11-10 | — | — | CN | disclosed |