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 | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 3/20 | 0.70 |
| ▸ | TSHR | P16473 | 2/20 | 0.70 |
| ▸ | DAO | P14920 | 1/20 | 0.70 |
| ▸ | CES2 | O00748 | 3/20 | 0.58 |
| ▸ | CES1 | P23141 | 3/20 | 0.58 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.58 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | APP | P05067 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | KDM6B | O15054 | 1/20 | 0.52 |
| ▸ | KDM4A | O75164 | 1/20 | 0.52 |
| ▸ | KDM5C | P41229 | 1/20 | 0.52 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.52 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.52 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL28967580 | 0.88 | NAPRT (0.67) | NAPRTTSHRDAOCES2CES1 | |
| Benzoic Acid SCHEMBL28523082 | 0.85 | NAPRT (0.70) | NAPRTTSHRDAOCES2CES1 | |
| Benzoic Acid SCHEMBL28274408 | 0.85 | NAPRT (0.70) | NAPRTTSHRDAOCES2CES1 | |
| Benzoic Acid SCHEMBL3811105 | 0.85 | NAPRT (0.70) | NAPRTTSHRDAOCES2CES1 | |
| Benzoic Acid SCHEMBL177939 | 0.84 | TSHR (0.88) | NAPRTTSHRDAOCES2CES1 | |
| Benzoic Acid SCHEMBL10457491 | 0.84 | TSHR (0.88) | NAPRTTSHRDAOCES2CES1 | |
| Benzoic Acid SCHEMBL11599602 | 0.84 | TSHR (0.88) | NAPRTTSHRDAOCES2CES1 | |
| Benzoic Acid SCHEMBL9664197 | 0.84 | TSHR (0.88) | NAPRTTSHRDAOCES2CES1 | |
| Benzoic Acid SCHEMBL31657264 | 0.84 | TSHR (0.88) | NAPRTTSHRDAOCES2CES1 | |
| Benzoic Acid SCHEMBL28117481 | 0.84 | TSHR (0.88) | NAPRTTSHRDAOCES2CES1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0644891-B1 | ANTIHYPERCHOLESTEROLEMIC COMPOUNDS AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE | STANFORD RES INST INT (US) | 1998-04-22 | — | — | EP | disclosed |
| US-5688780-A | ANTICHOLESTEROL AGENTS, CHOLESTEROL BIOSYNTHESIS INHIBITION | SRI INTERNATIONAL (US) | 1997-11-18 | — | — | US | disclosed |
| US-5510340-A | OXYSTEROL ANALOGS | SRI INTERNATIONAL (US) | 1996-04-23 | — | — | US | disclosed |
| EP-0644891-A1 | ANTIHYPERCHOLESTEROLEMIC COMPOUNDS AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE | SRI INTERNATIONAL (US) | 1995-03-29 | — | — | EP | disclosed |
| WO-1993025568-A2 | ANTIHYPERCHOLESTEROLEMIC COMPOUNDS AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE | SRI INTERNATIONAL (US) | 1993-12-23 | — | — | WO | disclosed |