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 | |
|---|---|---|---|---|
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.35 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | BCL2 | P10415 | 1/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11277469 | 0.89 | KDM4E (0.39) | CA1CA2KMT2AMEN1EGFR | |
| Hydrochloric Acid SCHEMBL11557486 | 0.81 | ADRB2 (0.34) | ADRB2ADORA3CHRM1ADRA2BADRA2C | |
| Benzoic Acid SCHEMBL11285103 | 0.80 | HRH3 (0.47) | KMT2AMEN1SLC6A3KCNH2HRH3 | |
| Hydrochloric Acid SCHEMBL11279019 | 0.77 | ADRB2 (0.41) | KMT2AMEN1ADRB2SLC6A3HTR1A | |
| Acetic Acid SCHEMBL11270199 | 0.74 | LMNA (0.45) | KMT2AMEN1GAAADRB2DRD1 | |
| Propionic Acid SCHEMBL11276033 | 0.73 | LCK (0.44) | KMT2AMEN1EGFRLCKADRB2 | |
| Acetic Acid SCHEMBL11283942 | 0.72 | MAPT (0.47) | CA1CA2KMT2AMEN1GAA | |
| Hydrochloric Acid SCHEMBL11272593 | 0.72 | KDM4E (0.45) | CA1CA2KMT2AEGFRLCK | |
| Hydrochloric Acid SCHEMBL11284749 | 0.71 | LMNA (0.51) | KMT2AMEN1GAAADRB2DRD1 | |
| SCHEMBL4233315 | 0.71 | ALDH1A1 (0.57) | KMT2AMEN1NPC1RAB9AADRB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4327022-A | Heterocyclic alkyl naphthols | STERLING DRUG INC. (US) | 1982-04-27 | — | — | US | disclosed |
| US-4169108-A | 5(OR 6)-[(Substituted-amino)alkyl]-2,3-naphthalenediols | STERLING DRUG INC. (US) | 1979-09-25 | — | — | US | disclosed |