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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.44 |
| ▸ | ERCC1 | P07992 | 2/20 | 0.44 |
| ▸ | ERCC4 | Q92889 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.42 |
| ▸ | MMP13 | P45452 | 2/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | RXRG | P48443 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
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 SCHEMBL11276220 | 0.86 | INSR (0.40) | ERCC1ERCC4SMN1; SMN2KDM4E | |
| Hydrochloric Acid SCHEMBL11279415 | 0.81 | CA12 (0.46) | SMN1; SMN2MMP13MMP2CASR | |
| SCHEMBL21015873 | 0.76 | NR1H4 (0.61) | NR1H4SMN1; SMN2MRGPRX4 | |
| SCHEMBL2732645 | 0.75 | KMT2A (0.59) | NR1H4SMN1; SMN2NR4A2EPHX2RXRA | |
| SCHEMBL12752954 | 0.75 | CYP1A2 (0.53) | MMP13MMP2KDM4E | |
| Acetic Acid SCHEMBL11270539 | 0.74 | HDAC1 (0.48) | ERCC1ERCC4SMN1; SMN2EGFRKDM4E | |
| Hydrochloric Acid SCHEMBL11276335 | 0.72 | MAPT (0.47) | SMN1; SMN2EGFRKDM4E | |
| Hydrochloric Acid SCHEMBL11283672 | 0.72 | MAPT (0.40) | ERCC1ERCC4SMN1; SMN2EGFRCASR | |
| Benzoic Acid SCHEMBL11306693 | 0.72 | TSHR (0.64) | EGFRKDM4E | |
| 4-Methylbenzoic Acid SCHEMBL11268231 | 0.72 | OPRM1 (0.46) | NR1H4SMN1; SMN2KDM4E |
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 |