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 | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | YTHDC1 | Q96MU7 | 3/20 | 0.36 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.35 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL37383 | 0.81 | XDH (0.38) | HSD17B10KDM4EALDH1A1HPGDRAB9A | |
| SCHEMBL29354230 | 0.81 | XDH (0.38) | HSD17B10KDM4EALDH1A1HPGDRAB9A | |
| SCHEMBL11456966 | 0.79 | XDH (0.37) | HSD17B10KDM4EALDH1A1HPGDCDK5 | |
| SCHEMBL7110570 | 0.77 | POLB (0.55) | YTHDC1POLBTOP2ABRAFNPC1 | |
| SCHEMBL7108109 | 0.76 | TOP2A (0.55) | KDM4EALDH1A1RAB9ATOP2ANPC1 | |
| SCHEMBL8511903 | 0.74 | KMT2A (0.49) | TSHRPOLBHSD17B10ADORA2AADORA1 | |
| SCHEMBL16147017 | 0.71 | XDH (0.36) | POLBKDM4ECDK5 | |
| SCHEMBL13765758 | 0.71 | KDM4E (0.50) | TSHRHSD17B10ADORA2AADORA1ADORA3 | |
| SCHEMBL15064128 | 0.70 | EGLN1 (0.32) | POLB | |
| SCHEMBL8539781 | 0.69 | MAPK1 (0.50) | ADORA2AADORA1ADORA3KDM4ERAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3924353-B1 | HETEROCYCLIC NITROGEN-CONTAINING PURINE DERIVATIVES, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN NEUROPROTECTION | UNIV PALACKEHO (CZ) | 2024-04-24 | — | — | EP | disclosed |
| US-20220127269-A1 | HETEROCYCLIC NITROGEN-CONTAINING PURINE DERIVATIVES, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN NEUROPROTECTION | UNIVERZITA PALACKEHO (CZ) | 2022-04-28 | — | — | US | disclosed |
| EP-3924353-A1 | HETEROCYCLIC NITROGEN-CONTAINING PURINE DERIVATIVES, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN NEUROPROTECTION | Univerzita Palackého (CZ) | 2021-12-22 | — | — | EP | disclosed |
| WO-2020164648-A1 | HETEROCYCLIC NITROGEN-CONTAINING PURINE DERIVATIVES, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN NEUROPROTECTION | UNIVERZITA PALACKEHO (CZ) | 2020-08-20 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20220127269-A1 | HETEROCYCLIC NITROGEN-CONTAINING PURINE DERIVATIVES, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN NEUROPROTECTION | NME4, NLN, PNP | NAPRT 36/4885DAO 275/4885TSHR 4309/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.