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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 known ✓ | P27487 | 3/20 | 0.53 |
| ▸ | ACE | P12821 | 2/20 | 0.49 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.46 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | HTR7 | P34969 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL642427 | 0.83 | F2 (0.44) | DPP4F2 | |
| SCHEMBL606217 | 0.83 | F2 (0.44) | DPP4F2 | |
| SCHEMBL608859 | 0.83 | F2 (0.44) | DPP4F2 | |
| SCHEMBL11251214 | 0.82 | SPHK2 (0.62) | DPP4SPHK2SPHK1PDK2HTR1A | |
| SCHEMBL11251209 | 0.82 | SPHK2 (0.62) | DPP4SPHK2SPHK1PDK2HTR1A | |
| SCHEMBL11884035 | 0.78 | F2 (0.46) | ACEPOLBALDH1A1SMN1; SMN2F2 | |
| SCHEMBL17327535 | 0.78 | CHRM2 (0.42) | F2 | |
| SCHEMBL642472 | 0.78 | CHRM2 (0.42) | F2 | |
| SCHEMBL13477022 | 0.78 | SPHK2 (0.58) | DPP4SPHK2SPHK1PDK2 | |
| Terephthalic Acid SCHEMBL5406259 | 0.77 | DPP4 (0.44) | DPP4SPHK2SPHK1ALDH1A1SMN1; SMN2 |
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-0210701-B1 | PEPTIDO-MIMETIC SUBSTANCES WITH HYPOTENSIVE ACTION | POLIFARMA S.p.A. (IT) | 1993-03-17 | — | — | EP | disclosed |
| US-4713368-A | Peptido-mimetic substances with hypotensive action | ENIRICERCHE S.P.A. (IT) | 1987-12-15 | — | — | US | disclosed |
| EP-0210701-A2 | Peptido-mimetic substances with hypotensive action | POLIFARMA S.p.A. (IT) | 1987-02-04 | — | — | EP | disclosed |