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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | RXRG | P48443 | 1/20 | 0.39 |
| ▸ | RHOC | P08134 | 2/20 | 0.38 |
| ▸ | RHOA | P61586 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.38 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7802656 | 0.94 | RXRA (0.47) | SRD5A2ALDH1A1RXRARXRBRXRG | |
| Phenethylamine SCHEMBL7800387 | 0.92 | TAAR1 (0.44) | TAAR1PDPK1SRD5A2RXRARXRB | |
| SCHEMBL7798427 | 0.90 | SRD5A2 (0.40) | TAAR1SRD5A2ALDH1A1RXRARXRB | |
| 4-Methylbenzoic Acid SCHEMBL7792518 | 0.90 | SCN5A (0.40) | TAAR1SRD5A2ALDH1A1RXRARXRB | |
| Tyramine SCHEMBL7799952 | 0.90 | TAAR1 (0.41) | TAAR1PDPK1SRD5A2ALDH1A1RXRA | |
| SCHEMBL7801541 | 0.88 | TAAR1 (0.51) | TAAR1RHOCRHOAMAOB | |
| Benzoic Acid SCHEMBL7801470 | 0.87 | SRD5A2 (0.48) | SRD5A2MAOBNR4A2 | |
| Benzoic Acid SCHEMBL8035799 | 0.86 | TAAR1 (0.44) | TAAR1ALDH1A1MAOBAKR1C3NR4A2 | |
| Phenethylamine SCHEMBL7799179 | 0.85 | RXRA (0.52) | TAAR1SRD5A2ALDH1A1RXRARXRB | |
| 4-Methylbenzoic Acid SCHEMBL7792063 | 0.84 | RXRA (0.42) | TAAR1SRD5A2ALDH1A1RXRARXRB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1076649-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 2001-02-21 | — | — | EP | disclosed |
| US-6127381-A | A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY | LION BIOSCIENCE AG (DE) | 2000-10-03 | — | — | US | disclosed |
| WO-1999055679-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 1999-11-04 | — | — | WO | disclosed |