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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KLK7 | P49862 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28946798 | 0.82 | KMT2A (0.69) | KMT2ATSHRALDH1A1HTTNPSR1 | |
| Phenyl Propionic Acid SCHEMBL7042956 | 0.81 | KEAP1 (0.63) | ALDH1A1HTTNPSR1SMN1; SMN2MAPT | |
| SCHEMBL2800 | 0.81 | HPGD (0.52) | KMT2AALDH1A1HTTNPSR1MEN1 | |
| Benzoic Acid SCHEMBL28847632 | 0.81 | EPHX2 (0.54) | KMT2ADAOTSHRNAPRTSMN1; SMN2 | |
| SCHEMBL2443481 | 0.81 | KMT2A (0.68) | KMT2AALDH1A1HTTNPSR1SMN1; SMN2 | |
| SCHEMBL13912376 | 0.81 | KMT2A (0.68) | KMT2AALDH1A1HTTNPSR1SMN1; SMN2 | |
| Benzoic Acid SCHEMBL2804421 | 0.80 | DAO (0.45) | KMT2ADAOTSHRNAPRTNPSR1 | |
| SCHEMBL12568921 | 0.79 | KMT2A (0.54) | KMT2AALDH1A1SMN1; SMN2MEN1NPC1 | |
| SCHEMBL9130865 | 0.79 | HPGD (0.55) | KMT2AALDH1A1HTTSMN1; SMN2MEN1 | |
| SCHEMBL1595661 | 0.79 | HPGD (0.55) | KMT2AALDH1A1HTTSMN1; SMN2MEN1 |
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-1100479-B1 | MEDICINAL PRODUCTS WITH RETARDED PHARMACOLOGICAL ACTIVITY AND METHOD FOR THE PRODUCTION THEREOF | SCHIERHOLZ JOERG DR DR (DE) | 2006-01-11 | — | — | EP | claimed |
| US-6641831-B1 | Nondegradable; monolithic distribution of substances having different hydrophilicity dispersed in polymeric matrix | SCHIERHOLZ JOERG (DE) | 2003-11-04 | — | — | US | claimed |
| US-6641831-B1 | Nondegradable; monolithic distribution of substances having different hydrophilicity dispersed in polymeric matrix | SCHIERHOLZ JOERG (DE) | 2003-11-04 | — | — | US | disclosed |